2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide

C17H18N4O — CID 97066125

IUPAC2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)Nc1ccn([C@H](C)c2ccccc2)n1
InChIInChI=1S/C17H18N4O/c1-12-15(8-10-18-12)17(22)19-16-9-11-21(20-16)13(2)14-6-4-3-5-7-14/h3-11,13,18H,1-2H3,(H,19,20,22)/t13-/m1/s1
InChIKeyFOVNQXINQZVCBN-CYBMUJFWSA-N
MW294.36 g/mol
LogP3.38
Rot. Bonds4

About 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide

2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 97066125) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID97066125
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)Nc1ccn([C@H](C)c2ccccc2)n1
InChIInChI=1S/C17H18N4O/c1-12-15(8-10-18-12)17(22)19-16-9-11-21(20-16)13(2)14-6-4-3-5-7-14/h3-11,13,18H,1-2H3,(H,19,20,22)/t13-/m1/s1
InChIKeyFOVNQXINQZVCBN-CYBMUJFWSA-N
XLogP3.38
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-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

2-(2-hydroxyphenyl)-N-[1-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 71970163
4,4,4-trifluoro-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]butanamide
CID 97089043
N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide
CID 146138024
2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 166341323
N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide
CID 71919085
N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 99850149
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide
CID 97221761
3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide
CID 97225833
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 98874227
N-[2-(azepan-1-yl)-2-phenylethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 118786582
phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041168

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide (CID 97066125) is 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)Nc1ccn([C@H](C)c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is FOVNQXINQZVCBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-15(8-10-18-12)17(22)19-16-9-11-21(20-16)13(2)14-6-4-3-5-7-14/h3-11,13,18H,1-2H3,(H,19,20,22)/t13-/m1/s1.
What are the key properties of 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide?
2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 97066125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).