3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide

C14H11N3OS — CID 61393683

IUPAC3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1sccc1-c1ccccc1
InChIInChI=1S/C14H11N3OS/c18-14(16-12-6-8-15-17-12)13-11(7-9-19-13)10-4-2-1-3-5-10/h1-9H,(H2,15,16,17,18)
InChIKeyNDBJNUAQHOAIGP-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.39
Rot. Bonds3

About 3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide

3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 61393683) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
PubChem CID61393683
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1sccc1-c1ccccc1
InChIInChI=1S/C14H11N3OS/c18-14(16-12-6-8-15-17-12)13-11(7-9-19-13)10-4-2-1-3-5-10/h1-9H,(H2,15,16,17,18)
InChIKeyNDBJNUAQHOAIGP-UHFFFAOYSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-5-yl)benzamide
CID 23298723
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
3-phenylthiophene-2-carbonyl chloride
CID 119087278
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
N-(3-acetamido-2-methylphenyl)-3-phenylthiophene-2-carboxamide
CID 134019108
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
CID 17449024
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198
2-iodo-N-(1H-pyrazol-5-yl)benzamide
CID 61393108
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
CID 106180732
N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide
CID 75447520

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide (CID 61393683) is 3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccn[nH]1)c1sccc1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is NDBJNUAQHOAIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-14(16-12-6-8-15-17-12)13-11(7-9-19-13)10-4-2-1-3-5-10/h1-9H,(H2,15,16,17,18).
What are the key properties of 3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61393683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).