5-methylsulfanyl-1H-pyrazole-4-carboxamide

C5H7N3OS — CID 91359126

IUPAC5-methylsulfanyl-1H-pyrazole-4-carboxamide
SMILESCSc1[nH]ncc1C(N)=O
InChIInChI=1S/C5H7N3OS/c1-10-5-3(4(6)9)2-7-8-5/h2H,1H3,(H2,6,9)(H,7,8)
InChIKeyVAFXCZLMTUZEHV-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.23
Rot. Bonds2

About 5-methylsulfanyl-1H-pyrazole-4-carboxamide

5-methylsulfanyl-1H-pyrazole-4-carboxamide (PubChem CID 91359126) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 5-methylsulfanyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methylsulfanyl-1H-pyrazole-4-carboxamide
PubChem CID91359126
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name5-methylsulfanyl-1H-pyrazole-4-carboxamide
SMILESCSc1[nH]ncc1C(N)=O
InChIInChI=1S/C5H7N3OS/c1-10-5-3(4(6)9)2-7-8-5/h2H,1H3,(H2,6,9)(H,7,8)
InChIKeyVAFXCZLMTUZEHV-UHFFFAOYSA-N
XLogP0.23
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride
CID 175742670
4-carbamoyl-1H-pyrazole-5-carboxylic acid
CID 152609606
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
5-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 90032828
5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid
CID 163689145
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 89464494
5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide
CID 148913270
5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide
CID 123557222
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methylbutanamide
CID 79504345
N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 115664810
5-[(6-methoxy-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 168850050

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methylsulfanyl-1H-pyrazole-4-carboxamide (CID 91359126) is 5-methylsulfanyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methylsulfanyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methylsulfanyl-1H-pyrazole-4-carboxamide is CSc1[nH]ncc1C(N)=O.
What is the InChIKey of 5-methylsulfanyl-1H-pyrazole-4-carboxamide?
The InChIKey is VAFXCZLMTUZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-10-5-3(4(6)9)2-7-8-5/h2H,1H3,(H2,6,9)(H,7,8).
What are the key properties of 5-methylsulfanyl-1H-pyrazole-4-carboxamide?
5-methylsulfanyl-1H-pyrazole-4-carboxamide has a molecular weight of 157.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91359126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).