5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide

C9H5ClN4OS — CID 78913803

IUPAC5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H5ClN4OS/c10-7-2-1-6(16-7)9(15)13-8-5(3-11)4-12-14-8/h1-2,4H,(H2,12,13,14,15)
InChIKeyPUKLYRCXYNCGRA-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.25
Rot. Bonds2

About 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide

5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 78913803) has the molecular formula C9H5ClN4OS and a molecular weight of 252.69 g/mol. Its IUPAC name is 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
PubChem CID78913803
Molecular FormulaC9H5ClN4OS
Molecular Weight252.69 g/mol
Exact Mass251.99
IUPAC Name5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H5ClN4OS/c10-7-2-1-6(16-7)9(15)13-8-5(3-11)4-12-14-8/h1-2,4H,(H2,12,13,14,15)
InChIKeyPUKLYRCXYNCGRA-UHFFFAOYSA-N
XLogP2.25
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide (CID 78913803) is 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide is N#Cc1cn[nH]c1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is PUKLYRCXYNCGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4OS/c10-7-2-1-6(16-7)9(15)13-8-5(3-11)4-12-14-8/h1-2,4H,(H2,12,13,14,15).
What are the key properties of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide?
5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 252.69 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 78913803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).