3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine

C50H54F13N21O4 — CID 172983046

IUPAC3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.Cn1cc(C(=O)Nc2cccc(-c3nncn3C3(C(F)(F)F)CC3)n2)c(C(F)F)n1.Cn1cc(C(=O)O)c(C(F)F)n1.NC1(C(F)(F)F)CC1.Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C17H14F5N7O.C12H18N6O.C11H10F3N5.C6H6F2N2O2.C4H6F3N/c1-28-7-9(12(27-28)13(18)19)15(30)25-11-4-2-3-10(24-11)14-26-23-8-29(14)16(5-6-16)17(20,21)22;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;12-11(13,14)10(4-5-10)19-6-16-18-9(19)7-2-1-3-8(15)17-7;1-10-2-3(6(11)12)4(9-10)5(7)8;5-4(6,7)3(8)1-2-3/h2-4,7-8,13H,5-6H2,1H3,(H,24,25,30);5-9H,1-4H3,(H,16,19);1-3,6H,4-5H2,(H2,15,17);2,5H,1H3,(H,11,12);1-2,8H2/b;13-8?,14-9+;;;
InChIKeyWZONAKQRELLXRB-NBZNMJRUSA-N
MW1260.10 g/mol
LogP7.92
Rot. Bonds14

About 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine

3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 172983046) has the molecular formula C50H54F13N21O4 and a molecular weight of 1260.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID172983046
Molecular FormulaC50H54F13N21O4
Molecular Weight1260.10 g/mol
Exact Mass1259.45
IUPAC Name3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.Cn1cc(C(=O)Nc2cccc(-c3nncn3C3(C(F)(F)F)CC3)n2)c(C(F)F)n1.Cn1cc(C(=O)O)c(C(F)F)n1.NC1(C(F)(F)F)CC1.Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C17H14F5N7O.C12H18N6O.C11H10F3N5.C6H6F2N2O2.C4H6F3N/c1-28-7-9(12(27-28)13(18)19)15(30)25-11-4-2-3-10(24-11)14-26-23-8-29(14)16(5-6-16)17(20,21)22;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;12-11(13,14)10(4-5-10)19-6-16-18-9(19)7-2-1-3-8(15)17-7;1-10-2-3(6(11)12)4(9-10)5(7)8;5-4(6,7)3(8)1-2-3/h2-4,7-8,13H,5-6H2,1H3,(H,24,25,30);5-9H,1-4H3,(H,16,19);1-3,6H,4-5H2,(H2,15,17);2,5H,1H3,(H,11,12);1-2,8H2/b;13-8?,14-9+;;;
InChIKeyWZONAKQRELLXRB-NBZNMJRUSA-N
XLogP7.92
TPSA314.47 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001260.10
LogP ≤ 57.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine with MolForge

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Related Compounds

3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
CID 160546762
acetic acid;acetonitrile;2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid
CID 172965362
N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
CID 172975529
4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine
CID 158191845
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane
CID 158353511
4-(1-cyclopropylpyrazol-4-yl)-5-(difluoromethyl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]pyridine-2-carboxamide;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 161861393
4-(1-cyclopropylpyrazol-4-yl)-5-(difluoromethyl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]pyridine-2-carboxamide;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 161861394
1,1-difluoropropan-2-amine;6-[4-(1,1-difluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(1,1-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid
CID 172924078
N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
CID 172982449

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine (CID 172983046) is 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine is CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.Cn1cc(C(=O)Nc2cccc(-c3nncn3C3(C(F)(F)F)CC3)n2)c(C(F)F)n1.Cn1cc(C(=O)O)c(C(F)F)n1.NC1(C(F)(F)F)CC1.Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is WZONAKQRELLXRB-NBZNMJRUSA-N. The full InChI is InChI=1S/C17H14F5N7O.C12H18N6O.C11H10F3N5.C6H6F2N2O2.C4H6F3N/c1-28-7-9(12(27-28)13(18)19)15(30)25-11-4-2-3-10(24-11)14-26-23-8-29(14)16(5-6-16)17(20,21)22;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;12-11(13,14)10(4-5-10)19-6-16-18-9(19)7-2-1-3-8(15)17-7;1-10-2-3(6(11)12)4(9-10)5(7)8;5-4(6,7)3(8)1-2-3/h2-4,7-8,13H,5-6H2,1H3,(H,24,25,30);5-9H,1-4H3,(H,16,19);1-3,6H,4-5H2,(H2,15,17);2,5H,1H3,(H,11,12);1-2,8H2/b;13-8?,14-9+;;;.
What are the key properties of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 1260.10 g/mol, XLogP of 7.92, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 172983046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).