tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C85H119BCl2F2IN17O14 — CID 159201967

IUPACtert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESC.CC(C)(C)OC(=O)N1CCn2ncc(C3=CCOC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(C3CCOC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.CC1(C)OB(C2=CCOC2)OC1(C)C.Nc1ccc(F)c(Cl)c1.O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(C3CCOC3)c2C1.c1nn2c(c1C1CCOC1)CNCC2
InChIInChI=1S/C17H18ClFN4O2.C15H23N3O3.C15H21N3O3.C11H16IN3O2.C10H17BO3.C10H15N3O.C6H5ClFN.CH4/c18-14-7-12(1-2-15(14)19)21-17(24)22-4-5-23-16(9-22)13(8-20-23)11-3-6-25-10-11;2*1-15(2,3)21-14(19)17-5-6-18-13(9-17)12(8-16-18)11-4-7-20-10-11;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-4-14-7-8(1)9-5-12-13-3-2-11-6-10(9)13;7-5-3-4(9)1-2-6(5)8;/h1-2,7-8,11H,3-6,9-10H2,(H,21,24);8,11H,4-7,9-10H2,1-3H3;4,8H,5-7,9-10H2,1-3H3;6H,4-5,7H2,1-3H3;5H,6-7H2,1-4H3;5,8,11H,1-4,6-7H2;1-3H,9H2;1H4
InChIKeyKPKDIIKWYUEUEC-UHFFFAOYSA-N
MW1849.61 g/mol
LogP14.41
Rot. Bonds6

About tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 159201967) has the molecular formula C85H119BCl2F2IN17O14 and a molecular weight of 1849.61 g/mol. Its IUPAC name is tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Nametert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID159201967
Molecular FormulaC85H119BCl2F2IN17O14
Molecular Weight1849.61 g/mol
Exact Mass1847.76
IUPAC Nametert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESC.CC(C)(C)OC(=O)N1CCn2ncc(C3=CCOC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(C3CCOC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.CC1(C)OB(C2=CCOC2)OC1(C)C.Nc1ccc(F)c(Cl)c1.O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(C3CCOC3)c2C1.c1nn2c(c1C1CCOC1)CNCC2
InChIInChI=1S/C17H18ClFN4O2.C15H23N3O3.C15H21N3O3.C11H16IN3O2.C10H17BO3.C10H15N3O.C6H5ClFN.CH4/c18-14-7-12(1-2-15(14)19)21-17(24)22-4-5-23-16(9-22)13(8-20-23)11-3-6-25-10-11;2*1-15(2,3)21-14(19)17-5-6-18-13(9-17)12(8-16-18)11-4-7-20-10-11;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-4-14-7-8(1)9-5-12-13-3-2-11-6-10(9)13;7-5-3-4(9)1-2-6(5)8;/h1-2,7-8,11H,3-6,9-10H2,(H,21,24);8,11H,4-7,9-10H2,1-3H3;4,8H,5-7,9-10H2,1-3H3;6H,4-5,7H2,1-3H3;5H,6-7H2,1-4H3;5,8,11H,1-4,6-7H2;1-3H,9H2;1H4
InChIKeyKPKDIIKWYUEUEC-UHFFFAOYSA-N
XLogP14.41
TPSA312.72 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds6
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.61
LogP ≤ 514.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 159201967) is tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is C.CC(C)(C)OC(=O)N1CCn2ncc(C3=CCOC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(C3CCOC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.CC1(C)OB(C2=CCOC2)OC1(C)C.Nc1ccc(F)c(Cl)c1.O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(C3CCOC3)c2C1.c1nn2c(c1C1CCOC1)CNCC2.
What is the InChIKey of tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is KPKDIIKWYUEUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O2.C15H23N3O3.C15H21N3O3.C11H16IN3O2.C10H17BO3.C10H15N3O.C6H5ClFN.CH4/c18-14-7-12(1-2-15(14)19)21-17(24)22-4-5-23-16(9-22)13(8-20-23)11-3-6-25-10-11;2*1-15(2,3)21-14(19)17-5-6-18-13(9-17)12(8-16-18)11-4-7-20-10-11;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-4-14-7-8(1)9-5-12-13-3-2-11-6-10(9)13;7-5-3-4(9)1-2-6(5)8;/h1-2,7-8,11H,3-6,9-10H2,(H,21,24);8,11H,4-7,9-10H2,1-3H3;4,8H,5-7,9-10H2,1-3H3;6H,4-5,7H2,1-3H3;5H,6-7H2,1-4H3;5,8,11H,1-4,6-7H2;1-3H,9H2;1H4.
What are the key properties of tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 1849.61 g/mol, XLogP of 14.41, 6 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,5-dihydrofuran-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 159201967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).