N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C24H22N4O2S — CID 25163332

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O2S/c1-17-10-12-18(13-11-17)25-23(29)16-27(2)24(30)21-15-20(22-9-6-14-31-22)26-28(21)19-7-4-3-5-8-19/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeySQVVXIYGUXZQMV-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.62
Rot. Bonds6

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 25163332) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID25163332
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O2S/c1-17-10-12-18(13-11-17)25-23(29)16-27(2)24(30)21-15-20(22-9-6-14-31-22)26-28(21)19-7-4-3-5-8-19/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeySQVVXIYGUXZQMV-UHFFFAOYSA-N
XLogP4.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazole scaffold, 7d
CID 24893962
Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
(S)-1-(5-((2-aminopropanamido)methyl)thiophen-2-yl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218479
N-benzyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 680356
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
ML300-based SC inhibitor 10
CID 156027211
Pyrazole scaffold, 10b
CID 25218478
Pyrazole scaffold, 10d
CID 25218480
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
N-(4-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-2-thiophenecarboxamide
CID 23097164

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 25163332) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is SQVVXIYGUXZQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-17-10-12-18(13-11-17)25-23(29)16-27(2)24(30)21-15-20(22-9-6-14-31-22)26-28(21)19-7-4-3-5-8-19/h3-15H,16H2,1-2H3,(H,25,29).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 25163332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).