2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide

C9H8F2N4OS — CID 4772172

IUPAC2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2ccnn2C(F)F)s1
InChIInChI=1S/C9H8F2N4OS/c1-5-4-12-9(17-5)14-7(16)6-2-3-13-15(6)8(10)11/h2-4,8H,1H3,(H,12,14,16)
InChIKeyYAOJTTXTRSIVBI-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.30
Rot. Bonds3

About 2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide

2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 4772172) has the molecular formula C9H8F2N4OS and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID4772172
Molecular FormulaC9H8F2N4OS
Molecular Weight258.25 g/mol
Exact Mass258.04
IUPAC Name2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2ccnn2C(F)F)s1
InChIInChI=1S/C9H8F2N4OS/c1-5-4-12-9(17-5)14-7(16)6-2-3-13-15(6)8(10)11/h2-4,8H,1H3,(H,12,14,16)
InChIKeyYAOJTTXTRSIVBI-UHFFFAOYSA-N
XLogP2.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.30
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
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
3-(Thiazol-2-ylcarbamoyl)-pyrazole-1-carboxylic acid sec-butyl ester
CID 646212

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 4772172) is 2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is Cc1cnc(NC(=O)c2ccnn2C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is YAOJTTXTRSIVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4OS/c1-5-4-12-9(17-5)14-7(16)6-2-3-13-15(6)8(10)11/h2-4,8H,1H3,(H,12,14,16).
What are the key properties of 2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 258.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 4772172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).