N-(4-sulfanylphenyl)pyrazole-1-carboxamide

C10H9N3OS — CID 129252378

IUPACN-(4-sulfanylphenyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(S)cc1)n1cccn1
InChIInChI=1S/C10H9N3OS/c14-10(13-7-1-6-11-13)12-8-2-4-9(15)5-3-8/h1-7,15H,(H,12,14)
InChIKeyNZIRELJQVVOPHA-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.25
Rot. Bonds1

About N-(4-sulfanylphenyl)pyrazole-1-carboxamide

N-(4-sulfanylphenyl)pyrazole-1-carboxamide (PubChem CID 129252378) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(4-sulfanylphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-sulfanylphenyl)pyrazole-1-carboxamide
PubChem CID129252378
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-(4-sulfanylphenyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(S)cc1)n1cccn1
InChIInChI=1S/C10H9N3OS/c14-10(13-7-1-6-11-13)12-8-2-4-9(15)5-3-8/h1-7,15H,(H,12,14)
InChIKeyNZIRELJQVVOPHA-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-sulfanylphenyl)pyrazole-1-carboxamide?
The IUPAC name of N-(4-sulfanylphenyl)pyrazole-1-carboxamide (CID 129252378) is N-(4-sulfanylphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-sulfanylphenyl)pyrazole-1-carboxamide?
The canonical SMILES for N-(4-sulfanylphenyl)pyrazole-1-carboxamide is O=C(Nc1ccc(S)cc1)n1cccn1.
What is the InChIKey of N-(4-sulfanylphenyl)pyrazole-1-carboxamide?
The InChIKey is NZIRELJQVVOPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-10(13-7-1-6-11-13)12-8-2-4-9(15)5-3-8/h1-7,15H,(H,12,14).
What are the key properties of N-(4-sulfanylphenyl)pyrazole-1-carboxamide?
N-(4-sulfanylphenyl)pyrazole-1-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfanylphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 129252378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).