5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide

C19H19N3OS — CID 36704468

IUPAC5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnn(-c2cccc(C)c2)c1C
InChIInChI=1S/C19H19N3OS/c1-13-7-6-8-15(11-13)22-14(2)16(12-20-22)19(23)21-17-9-4-5-10-18(17)24-3/h4-12H,1-3H3,(H,21,23)
InChIKeyFVOQFNZZORYPLH-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.46
Rot. Bonds4

About 5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide (PubChem CID 36704468) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
PubChem CID36704468
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnn(-c2cccc(C)c2)c1C
InChIInChI=1S/C19H19N3OS/c1-13-7-6-8-15(11-13)22-14(2)16(12-20-22)19(23)21-17-9-4-5-10-18(17)24-3/h4-12H,1-3H3,(H,21,23)
InChIKeyFVOQFNZZORYPLH-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
N-[2-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 2810967
N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874
N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936768
N-[(S)-cyclopropyl(phenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36860846
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 33041157
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide (CID 36704468) is 5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide is CSc1ccccc1NC(=O)c1cnn(-c2cccc(C)c2)c1C.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide?
The InChIKey is FVOQFNZZORYPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-7-6-8-15(11-13)22-14(2)16(12-20-22)19(23)21-17-9-4-5-10-18(17)24-3/h4-12H,1-3H3,(H,21,23).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 36704468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).