1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide

C16H26N6O — CID 95122495

IUPAC1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc(C(C)C)nn1C)c1ncnn1C
InChIInChI=1S/C16H26N6O/c1-10(2)7-13(15-17-9-18-22(15)6)19-16(23)14-8-12(11(3)4)20-21(14)5/h8-11,13H,7H2,1-6H3,(H,19,23)/t13-/m0/s1
InChIKeyYBPVNJBADCRNOG-ZDUSSCGKSA-N
MW318.43 g/mol
LogP2.19
Rot. Bonds6

About 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide

1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 95122495) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID95122495
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc(C(C)C)nn1C)c1ncnn1C
InChIInChI=1S/C16H26N6O/c1-10(2)7-13(15-17-9-18-22(15)6)19-16(23)14-8-12(11(3)4)20-21(14)5/h8-11,13H,7H2,1-6H3,(H,19,23)/t13-/m0/s1
InChIKeyYBPVNJBADCRNOG-ZDUSSCGKSA-N
XLogP2.19
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide
CID 126446161
4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291
2-methoxy-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidine-5-carboxamide
CID 126444842
5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
CID 122568494
2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide
CID 122560144
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70737249
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide
CID 50980294
2-amino-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443480
2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443478
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125438783
3-chloro-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyridine-4-carboxamide
CID 125443382
2,4-dimethyl-5-[[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]carbamoyl]-1H-pyrrole-3-carboxylic acid
CID 124852108

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 95122495) is 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide is CC(C)C[C@H](NC(=O)c1cc(C(C)C)nn1C)c1ncnn1C.
What is the InChIKey of 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is YBPVNJBADCRNOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N6O/c1-10(2)7-13(15-17-9-18-22(15)6)19-16(23)14-8-12(11(3)4)20-21(14)5/h8-11,13H,7H2,1-6H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 95122495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).