1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide

C15H18N6O — CID 56750222

IUPAC1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2ccc3c(c2)nnn3C)n[nH]1
InChIInChI=1S/C15H18N6O/c1-9(6-12-7-10(2)17-18-12)16-15(22)11-4-5-14-13(8-11)19-20-21(14)3/h4-5,7-9H,6H2,1-3H3,(H,16,22)(H,17,18)
InChIKeyKOGUHPCLCFWPIR-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.36
Rot. Bonds4

About 1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide

1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide (PubChem CID 56750222) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide
PubChem CID56750222
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2ccc3c(c2)nnn3C)n[nH]1
InChIInChI=1S/C15H18N6O/c1-9(6-12-7-10(2)17-18-12)16-15(22)11-4-5-14-13(8-11)19-20-21(14)3/h4-5,7-9H,6H2,1-3H3,(H,16,22)(H,17,18)
InChIKeyKOGUHPCLCFWPIR-UHFFFAOYSA-N
XLogP1.36
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]-1-methylbenzotriazole-5-carboxamide
CID 75437762
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 95219990
4-(2,6-dimethyl-4-pyridinyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 126423253
4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 121498220
2-[(1-methylbenzotriazole-5-carbonyl)amino]butanoic acid
CID 119223248
2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95148304
2-methyl-1-(1-methylbenzotriazol-5-yl)propan-1-one
CID 112713248
N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119612905
3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 126452566
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
CID 95228203
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70708653
1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
CID 56905367

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide (CID 56750222) is 1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide is Cc1cc(CC(C)NC(=O)c2ccc3c(c2)nnn3C)n[nH]1.
What is the InChIKey of 1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide?
The InChIKey is KOGUHPCLCFWPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-9(6-12-7-10(2)17-18-12)16-15(22)11-4-5-14-13(8-11)19-20-21(14)3/h4-5,7-9H,6H2,1-3H3,(H,16,22)(H,17,18).
What are the key properties of 1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide?
1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide is sourced from PubChem (CID 56750222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).