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

C9H7F3N4OS — CID 4770498

IUPAC1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N4OS/c1-16-6(9(10,11)12)4-5(15-16)7(17)14-8-13-2-3-18-8/h2-4H,1H3,(H,13,14,17)
InChIKeyPEOCBFICPSOCAX-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.15
Rot. Bonds2

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

1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4770498) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4770498
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC Name1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N4OS/c1-16-6(9(10,11)12)4-5(15-16)7(17)14-8-13-2-3-18-8/h2-4H,1H3,(H,13,14,17)
InChIKeyPEOCBFICPSOCAX-UHFFFAOYSA-N
XLogP2.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4770498) is 1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2nccs2)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is PEOCBFICPSOCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c1-16-6(9(10,11)12)4-5(15-16)7(17)14-8-13-2-3-18-8/h2-4H,1H3,(H,13,14,17).
What are the key properties of 1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 276.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4770498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).