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

C34H34F6N14O5 — CID 160862269

IUPAC3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.COc1nn(C)cc1C(=O)O.Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C17H16F3N7O2.C11H10F3N5.C6H8N2O3/c1-26-8-10(15(25-26)29-2)14(28)23-12-5-3-4-11(22-12)13-24-21-9-27(13)16(6-7-16)17(18,19)20;12-11(13,14)10(4-5-10)19-6-16-18-9(19)7-2-1-3-8(15)17-7;1-8-3-4(6(9)10)5(7-8)11-2/h3-5,8-9H,6-7H2,1-2H3,(H,22,23,28);1-3,6H,4-5H2,(H2,15,17);3H,1-2H3,(H,9,10)
InChIKeySKQJZDQIASIJQP-UHFFFAOYSA-N
MW832.73 g/mol
LogP4.49
Rot. Bonds9

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

3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 160862269) has the molecular formula C34H34F6N14O5 and a molecular weight of 832.73 g/mol. Its IUPAC name is 3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID160862269
Molecular FormulaC34H34F6N14O5
Molecular Weight832.73 g/mol
Exact Mass832.27
IUPAC Name3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.COc1nn(C)cc1C(=O)O.Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C17H16F3N7O2.C11H10F3N5.C6H8N2O3/c1-26-8-10(15(25-26)29-2)14(28)23-12-5-3-4-11(22-12)13-24-21-9-27(13)16(6-7-16)17(18,19)20;12-11(13,14)10(4-5-10)19-6-16-18-9(19)7-2-1-3-8(15)17-7;1-8-3-4(6(9)10)5(7-8)11-2/h3-5,8-9H,6-7H2,1-2H3,(H,22,23,28);1-3,6H,4-5H2,(H2,15,17);3H,1-2H3,(H,9,10)
InChIKeySKQJZDQIASIJQP-UHFFFAOYSA-N
XLogP4.49
TPSA233.72 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.73
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

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

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Related Compounds

N-(6-(4-Isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-3-methoxy-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide
CID 146027049
3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyrazole-4-carboxamide
CID 146381559
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
CID 146381268
3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381271
N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381286
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 146381295
1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381346
3-methoxy-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381371
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyrimidin-5-ylpyrazole-4-carboxamide
CID 146381377
3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381538
3-methoxy-1-(2,2,2-trifluoroethyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381564
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 146381565

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine (CID 160862269) is 3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine is COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.COc1nn(C)cc1C(=O)O.Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is SKQJZDQIASIJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O2.C11H10F3N5.C6H8N2O3/c1-26-8-10(15(25-26)29-2)14(28)23-12-5-3-4-11(22-12)13-24-21-9-27(13)16(6-7-16)17(18,19)20;12-11(13,14)10(4-5-10)19-6-16-18-9(19)7-2-1-3-8(15)17-7;1-8-3-4(6(9)10)5(7-8)11-2/h3-5,8-9H,6-7H2,1-2H3,(H,22,23,28);1-3,6H,4-5H2,(H2,15,17);3H,1-2H3,(H,9,10).
What are the key properties of 3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 832.73 g/mol, XLogP of 4.49, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 160862269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).