4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

C9H9ClN4OS — CID 831979

IUPAC4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2nccs2)n1
InChIInChI=1S/C9H9ClN4OS/c1-2-14-5-6(10)7(13-14)8(15)12-9-11-3-4-16-9/h3-5H,2H2,1H3,(H,11,12,15)
InChIKeyJQMDEAAOAKBTMH-UHFFFAOYSA-N
MW256.72 g/mol
LogP2.27
Rot. Bonds3

About 4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 831979) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID831979
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2nccs2)n1
InChIInChI=1S/C9H9ClN4OS/c1-2-14-5-6(10)7(13-14)8(15)12-9-11-3-4-16-9/h3-5H,2H2,1H3,(H,11,12,15)
InChIKeyJQMDEAAOAKBTMH-UHFFFAOYSA-N
XLogP2.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 831979) is 4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2nccs2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is JQMDEAAOAKBTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c1-2-14-5-6(10)7(13-14)8(15)12-9-11-3-4-16-9/h3-5H,2H2,1H3,(H,11,12,15).
What are the key properties of 4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 256.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 831979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).