3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

C20H18N4OS — CID 20892701

IUPAC3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCc1cccs1
InChIInChI=1S/C20H18N4OS/c1-15-18(19(25)21-14-17-10-7-13-26-17)20(23-11-5-6-12-23)24(22-15)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,21,25)
InChIKeyWUXFPVIQXQRLPM-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.96
Rot. Bonds5

About 3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 20892701) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID20892701
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCc1cccs1
InChIInChI=1S/C20H18N4OS/c1-15-18(19(25)21-14-17-10-7-13-26-17)20(23-11-5-6-12-23)24(22-15)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,21,25)
InChIKeyWUXFPVIQXQRLPM-UHFFFAOYSA-N
XLogP3.96
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655
3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892672
N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915518
2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 46350228
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915535
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892669
N-[(2-methoxyphenyl)methyl]-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936645
N-(2-methoxyethyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915137
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22581091
1-(4-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915461
(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 20892633
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate
CID 32928867

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (CID 20892701) is 3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCc1cccs1.
What is the InChIKey of 3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is WUXFPVIQXQRLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-15-18(19(25)21-14-17-10-7-13-26-17)20(23-11-5-6-12-23)24(22-15)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,21,25).
What are the key properties of 3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 20892701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).