5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide

C15H19N3O2S — CID 96565233

IUPAC5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)CSC)cc1
InChIInChI=1S/C15H19N3O2S/c1-10(9-21-3)17-15(19)13-8-16-18-14(13)11-4-6-12(20-2)7-5-11/h4-8,10H,9H2,1-3H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyQSFJHRJEGKAKJY-JTQLQIEISA-N
MW305.40 g/mol
LogP2.57
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide

5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 96565233) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID96565233
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)CSC)cc1
InChIInChI=1S/C15H19N3O2S/c1-10(9-21-3)17-15(19)13-8-16-18-14(13)11-4-6-12(20-2)7-5-11/h4-8,10H,9H2,1-3H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyQSFJHRJEGKAKJY-JTQLQIEISA-N
XLogP2.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824160
N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 95795239
N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552
5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86916114
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 51592407
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
N-[(1-hydroxycyclohexyl)methyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 111485817
5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795174
5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide
CID 55497230
5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 91638920

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide (CID 96565233) is 5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)CSC)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is QSFJHRJEGKAKJY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(9-21-3)17-15(19)13-8-16-18-14(13)11-4-6-12(20-2)7-5-11/h4-8,10H,9H2,1-3H3,(H,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of 5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide?
5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 96565233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).