4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

C9H6ClF3N4OS — CID 4769706

IUPAC4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2nccs2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C9H6ClF3N4OS/c1-17-6(9(11,12)13)4(10)5(16-17)7(18)15-8-14-2-3-19-8/h2-3H,1H3,(H,14,15,18)
InChIKeyZCKLERPUWSNNDA-UHFFFAOYSA-N
MW310.69 g/mol
LogP2.80
Rot. Bonds2

About 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4769706) has the molecular formula C9H6ClF3N4OS and a molecular weight of 310.69 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4769706
Molecular FormulaC9H6ClF3N4OS
Molecular Weight310.69 g/mol
Exact Mass309.99
IUPAC Name4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2nccs2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C9H6ClF3N4OS/c1-17-6(9(11,12)13)4(10)5(16-17)7(18)15-8-14-2-3-19-8/h2-3H,1H3,(H,14,15,18)
InChIKeyZCKLERPUWSNNDA-UHFFFAOYSA-N
XLogP2.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4769706) is 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2nccs2)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is ZCKLERPUWSNNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4OS/c1-17-6(9(11,12)13)4(10)5(16-17)7(18)15-8-14-2-3-19-8/h2-3H,1H3,(H,14,15,18).
What are the key properties of 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 310.69 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4769706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).