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

C9H10N4OS — CID 891818

IUPAC1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nccs2)n1
InChIInChI=1S/C9H10N4OS/c1-2-13-5-3-7(12-13)8(14)11-9-10-4-6-15-9/h3-6H,2H2,1H3,(H,10,11,14)
InChIKeyQWKVGWBESAZKOE-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.61
Rot. Bonds3

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

1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 891818) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID891818
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nccs2)n1
InChIInChI=1S/C9H10N4OS/c1-2-13-5-3-7(12-13)8(14)11-9-10-4-6-15-9/h3-6H,2H2,1H3,(H,10,11,14)
InChIKeyQWKVGWBESAZKOE-UHFFFAOYSA-N
XLogP1.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 893021
4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831979
1-ethyl-N-(5-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 6464339
4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 6471003
4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 903362
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1028404
1-Methyl-4-nitro-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 1220107
N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 71864212
4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 831994
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831420
4-bromo-2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 891968

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 891818) is 1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2nccs2)n1.
What is the InChIKey of 1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is QWKVGWBESAZKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-2-13-5-3-7(12-13)8(14)11-9-10-4-6-15-9/h3-6H,2H2,1H3,(H,10,11,14).
What are the key properties of 1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 891818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).