5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide

C13H15N3O — CID 167867029

IUPAC5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O/c1-9-8-12(16-15-9)13(17)14-10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKeyGHOXAPIGOUAKPG-SNVBAGLBSA-N
MW229.28 g/mol
LogP2.21
Rot. Bonds3

About 5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide

5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 167867029) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
PubChem CID167867029
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O/c1-9-8-12(16-15-9)13(17)14-10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKeyGHOXAPIGOUAKPG-SNVBAGLBSA-N
XLogP2.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 60520737
3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 61032689
(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 79011182
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55962372
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
N-but-3-en-2-yl-5-methyl-1H-pyrazole-3-carboxamide
CID 126992210
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 11983110
4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547288
5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 47161141
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 71127993

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide (CID 167867029) is 5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N[C@H](C)c2ccccc2)n[nH]1.
What is the InChIKey of 5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GHOXAPIGOUAKPG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-8-12(16-15-9)13(17)14-10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,17)(H,15,16)/t10-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167867029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).