5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide

C18H29N7O — CID 120642005

IUPAC5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C18H29N7O/c1-5-14(6-2)25-15(11-12(3)22-25)17(26)21-18-20-16(23-24(18)4)13-7-9-19-10-8-13/h11,13-14,19H,5-10H2,1-4H3,(H,20,21,23,26)
InChIKeyAKVFSEHAHXCOKA-UHFFFAOYSA-N
MW359.48 g/mol
LogP2.40
Rot. Bonds6

About 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide

5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 120642005) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide
PubChem CID120642005
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C18H29N7O/c1-5-14(6-2)25-15(11-12(3)22-25)17(26)21-18-20-16(23-24(18)4)13-7-9-19-10-8-13/h11,13-14,19H,5-10H2,1-4H3,(H,20,21,23,26)
InChIKeyAKVFSEHAHXCOKA-UHFFFAOYSA-N
XLogP2.40
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118
3-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120643486
2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644678
2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-methylsulfonylbenzamide
CID 120643414
5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120642483
4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-nitrobenzamide
CID 120643837
4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644889
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride
CID 120645027
N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
CID 99852434

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide (CID 120642005) is 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)n1nc(C)cc1C(=O)Nc1nc(C2CCNCC2)nn1C.
What is the InChIKey of 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is AKVFSEHAHXCOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-5-14(6-2)25-15(11-12(3)22-25)17(26)21-18-20-16(23-24(18)4)13-7-9-19-10-8-13/h11,13-14,19H,5-10H2,1-4H3,(H,20,21,23,26).
What are the key properties of 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide?
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 120642005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).