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

C8H6ClN3OS — CID 43429442

IUPAC5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(Cl)s1
InChIInChI=1S/C8H6ClN3OS/c9-7-2-1-6(14-7)8(13)12-5-3-10-11-4-5/h1-4H,(H,10,11)(H,12,13)
InChIKeyYISZNAJFYYEAIB-UHFFFAOYSA-N
MW227.68 g/mol
LogP2.38
Rot. Bonds2

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

5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 43429442) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is 5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
PubChem CID43429442
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC Name5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(Cl)s1
InChIInChI=1S/C8H6ClN3OS/c9-7-2-1-6(14-7)8(13)12-5-3-10-11-4-5/h1-4H,(H,10,11)(H,12,13)
InChIKeyYISZNAJFYYEAIB-UHFFFAOYSA-N
XLogP2.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide (CID 43429442) is 5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide is O=C(Nc1cn[nH]c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is YISZNAJFYYEAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c9-7-2-1-6(14-7)8(13)12-5-3-10-11-4-5/h1-4H,(H,10,11)(H,12,13).
What are the key properties of 5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 227.68 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 43429442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).