N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide

C16H18N6O — CID 95525394

IUPACN-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCC[C@@H](NC(=O)c1ccccc1-n1cncn1)c1ccnn1C
InChIInChI=1S/C16H18N6O/c1-3-13(15-8-9-18-21(15)2)20-16(23)12-6-4-5-7-14(12)22-11-17-10-19-22/h4-11,13H,3H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyPZDNOKMYSRRIJQ-CYBMUJFWSA-N
MW310.36 g/mol
LogP1.88
Rot. Bonds5

About N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide

N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 95525394) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID95525394
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCC[C@@H](NC(=O)c1ccccc1-n1cncn1)c1ccnn1C
InChIInChI=1S/C16H18N6O/c1-3-13(15-8-9-18-21(15)2)20-16(23)12-6-4-5-7-14(12)22-11-17-10-19-22/h4-11,13H,3H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyPZDNOKMYSRRIJQ-CYBMUJFWSA-N
XLogP1.88
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126425657
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 97121154
(2S)-2-cyclopropyl-2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 122558428
N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
CID 171915214
2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97203575
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134707784
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134703354
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
CID 95144214

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide (CID 95525394) is N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide is CC[C@@H](NC(=O)c1ccccc1-n1cncn1)c1ccnn1C.
What is the InChIKey of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is PZDNOKMYSRRIJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-13(15-8-9-18-21(15)2)20-16(23)12-6-4-5-7-14(12)22-11-17-10-19-22/h4-11,13H,3H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide?
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 310.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 95525394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).