5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C161H160F12IN29O17 — CID 159521059

IUPAC5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(F)c1.CC(C)(C)CC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1.CCOC(=O)C(=O)CC(=O)c1cccc(F)c1.CCOC(=O)c1cc(-c2cccc(F)c2)n[nH]1.CCOC(=O)c1cc(-c2cccc(F)c2)nn1CCNC(=O)OC(C)(C)C.Fc1cccc(-c2cc3n(n2)CCCC3)c1.Fc1cccc(-c2nn3c(c2I)CCCC3)c1.NC(=O)c1c(-c2cccc(F)c2)nn2c1CCCC2.NC(=O)c1c(-c2cccc(F)c2)nn2c1CNCC2.O=C1NCCn2nc(-c3cccc(F)c3)cc21.O=C1NCCn2nc(-c3cccc(F)c3)cc21.[C-]#[N+]c1c(-c2cccc(F)c2)nn2c1CCCC2
InChIInChI=1S/C19H23FN4O2.C19H24FN3O4.C14H14FN3O.C14H12FN3.C13H12FIN2.C13H13FN4O.C13H13FN2.2C12H10FN3O.C12H11FN2O2.C12H11FO4.C8H7FO/c1-19(2,3)10-15(25)23-7-8-24-14(11-23)16(18(21)26)17(22-24)12-5-4-6-13(20)9-12;1-5-26-17(24)16-12-15(13-7-6-8-14(20)11-13)22-23(16)10-9-21-18(25)27-19(2,3)4;15-10-5-3-4-9(8-10)13-12(14(16)19)11-6-1-2-7-18(11)17-13;1-16-14-12-7-2-3-8-18(12)17-13(14)10-5-4-6-11(15)9-10;14-10-5-3-4-9(8-10)13-12(15)11-6-1-2-7-17(11)16-13;14-9-3-1-2-8(6-9)12-11(13(15)19)10-7-16-4-5-18(10)17-12;14-11-5-3-4-10(8-11)13-9-12-6-1-2-7-16(12)15-13;2*13-9-3-1-2-8(6-9)10-7-11-12(17)14-4-5-16(11)15-10;1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8;1-2-17-12(16)11(15)7-10(14)8-4-3-5-9(13)6-8;1-6(10)7-3-2-4-8(9)5-7/h4-6,9H,7-8,10-11H2,1-3H3,(H2,21,26);6-8,11-12H,5,9-10H2,1-4H3,(H,21,25);3-5,8H,1-2,6-7H2,(H2,16,19);4-6,9H,2-3,7-8H2;3-5,8H,1-2,6-7H2;1-3,6,16H,4-5,7H2,(H2,15,19);3-5,8-9H,1-2,6-7H2;2*1-3,6-7H,4-5H2,(H,14,17);3-7H,2H2,1H3,(H,14,15);3-6H,2,7H2,1H3;2-5H,1H3
InChIKeyMBULRENUVLLTLB-UHFFFAOYSA-N
MW3128.12 g/mol
LogP28.02
Rot. Bonds27

About 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 159521059) has the molecular formula C161H160F12IN29O17 and a molecular weight of 3128.12 g/mol. Its IUPAC name is 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID159521059
Molecular FormulaC161H160F12IN29O17
Molecular Weight3128.12 g/mol
Exact Mass3126.14
IUPAC Name5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(F)c1.CC(C)(C)CC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1.CCOC(=O)C(=O)CC(=O)c1cccc(F)c1.CCOC(=O)c1cc(-c2cccc(F)c2)n[nH]1.CCOC(=O)c1cc(-c2cccc(F)c2)nn1CCNC(=O)OC(C)(C)C.Fc1cccc(-c2cc3n(n2)CCCC3)c1.Fc1cccc(-c2nn3c(c2I)CCCC3)c1.NC(=O)c1c(-c2cccc(F)c2)nn2c1CCCC2.NC(=O)c1c(-c2cccc(F)c2)nn2c1CNCC2.O=C1NCCn2nc(-c3cccc(F)c3)cc21.O=C1NCCn2nc(-c3cccc(F)c3)cc21.[C-]#[N+]c1c(-c2cccc(F)c2)nn2c1CCCC2
InChIInChI=1S/C19H23FN4O2.C19H24FN3O4.C14H14FN3O.C14H12FN3.C13H12FIN2.C13H13FN4O.C13H13FN2.2C12H10FN3O.C12H11FN2O2.C12H11FO4.C8H7FO/c1-19(2,3)10-15(25)23-7-8-24-14(11-23)16(18(21)26)17(22-24)12-5-4-6-13(20)9-12;1-5-26-17(24)16-12-15(13-7-6-8-14(20)11-13)22-23(16)10-9-21-18(25)27-19(2,3)4;15-10-5-3-4-9(8-10)13-12(14(16)19)11-6-1-2-7-18(11)17-13;1-16-14-12-7-2-3-8-18(12)17-13(14)10-5-4-6-11(15)9-10;14-10-5-3-4-9(8-10)13-12(15)11-6-1-2-7-17(11)16-13;14-9-3-1-2-8(6-9)12-11(13(15)19)10-7-16-4-5-18(10)17-12;14-11-5-3-4-10(8-11)13-9-12-6-1-2-7-16(12)15-13;2*13-9-3-1-2-8(6-9)10-7-11-12(17)14-4-5-16(11)15-10;1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8;1-2-17-12(16)11(15)7-10(14)8-4-3-5-9(13)6-8;1-6(10)7-3-2-4-8(9)5-7/h4-6,9H,7-8,10-11H2,1-3H3,(H2,21,26);6-8,11-12H,5,9-10H2,1-4H3,(H,21,25);3-5,8H,1-2,6-7H2,(H2,16,19);4-6,9H,2-3,7-8H2;3-5,8H,1-2,6-7H2;1-3,6,16H,4-5,7H2,(H2,15,19);3-5,8-9H,1-2,6-7H2;2*1-3,6-7H,4-5H2,(H,14,17);3-7H,2H2,1H3,(H,14,15);3-6H,2,7H2,1H3;2-5H,1H3
InChIKeyMBULRENUVLLTLB-UHFFFAOYSA-N
XLogP28.02
TPSA581.67 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds27
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003128.12
LogP ≤ 528.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-(2-bromoethyl)-3-(4-fluorophenyl)pyrazole-5-carboxylate;ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one;1-(4-fluorophenyl)ethanone;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane
CID 158607039
ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;1-(3-fluorophenyl)ethanone
CID 159370568
ethyl 1-(2-bromoethyl)-3-(4-fluorophenyl)pyrazole-5-carboxylate;ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one;1-(4-fluorophenyl)ethanone;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 161912076

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 159521059) is 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(=O)c1cccc(F)c1.CC(C)(C)CC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1.CCOC(=O)C(=O)CC(=O)c1cccc(F)c1.CCOC(=O)c1cc(-c2cccc(F)c2)n[nH]1.CCOC(=O)c1cc(-c2cccc(F)c2)nn1CCNC(=O)OC(C)(C)C.Fc1cccc(-c2cc3n(n2)CCCC3)c1.Fc1cccc(-c2nn3c(c2I)CCCC3)c1.NC(=O)c1c(-c2cccc(F)c2)nn2c1CCCC2.NC(=O)c1c(-c2cccc(F)c2)nn2c1CNCC2.O=C1NCCn2nc(-c3cccc(F)c3)cc21.O=C1NCCn2nc(-c3cccc(F)c3)cc21.[C-]#[N+]c1c(-c2cccc(F)c2)nn2c1CCCC2.
What is the InChIKey of 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MBULRENUVLLTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2.C19H24FN3O4.C14H14FN3O.C14H12FN3.C13H12FIN2.C13H13FN4O.C13H13FN2.2C12H10FN3O.C12H11FN2O2.C12H11FO4.C8H7FO/c1-19(2,3)10-15(25)23-7-8-24-14(11-23)16(18(21)26)17(22-24)12-5-4-6-13(20)9-12;1-5-26-17(24)16-12-15(13-7-6-8-14(20)11-13)22-23(16)10-9-21-18(25)27-19(2,3)4;15-10-5-3-4-9(8-10)13-12(14(16)19)11-6-1-2-7-18(11)17-13;1-16-14-12-7-2-3-8-18(12)17-13(14)10-5-4-6-11(15)9-10;14-10-5-3-4-9(8-10)13-12(15)11-6-1-2-7-17(11)16-13;14-9-3-1-2-8(6-9)12-11(13(15)19)10-7-16-4-5-18(10)17-12;14-11-5-3-4-10(8-11)13-9-12-6-1-2-7-16(12)15-13;2*13-9-3-1-2-8(6-9)10-7-11-12(17)14-4-5-16(11)15-10;1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8;1-2-17-12(16)11(15)7-10(14)8-4-3-5-9(13)6-8;1-6(10)7-3-2-4-8(9)5-7/h4-6,9H,7-8,10-11H2,1-3H3,(H2,21,26);6-8,11-12H,5,9-10H2,1-4H3,(H,21,25);3-5,8H,1-2,6-7H2,(H2,16,19);4-6,9H,2-3,7-8H2;3-5,8H,1-2,6-7H2;1-3,6,16H,4-5,7H2,(H2,15,19);3-5,8-9H,1-2,6-7H2;2*1-3,6-7H,4-5H2,(H,14,17);3-7H,2H2,1H3,(H,14,15);3-6H,2,7H2,1H3;2-5H,1H3.
What are the key properties of 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 3128.12 g/mol, XLogP of 28.02, 27 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutanoyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;bis(2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one);1-(3-fluorophenyl)ethanone;2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 159521059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).