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

C15H10ClF3N4O2 — CID 57458615

IUPAC1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)no1
InChIInChI=1S/C15H10ClF3N4O2/c1-8-6-13(22-25-8)20-14(24)11-7-12(15(17,18)19)21-23(11)10-5-3-2-4-9(10)16/h2-7H,1H3,(H,20,22,24)
InChIKeyHHJYCCHYMSEBPE-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.09
Rot. Bonds3

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

1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 57458615) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID57458615
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC Name1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)no1
InChIInChI=1S/C15H10ClF3N4O2/c1-8-6-13(22-25-8)20-14(24)11-7-12(15(17,18)19)21-23(11)10-5-3-2-4-9(10)16/h2-7H,1H3,(H,20,22,24)
InChIKeyHHJYCCHYMSEBPE-UHFFFAOYSA-N
XLogP4.09
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 57458615) is 1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)no1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is HHJYCCHYMSEBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c1-8-6-13(22-25-8)20-14(24)11-7-12(15(17,18)19)21-23(11)10-5-3-2-4-9(10)16/h2-7H,1H3,(H,20,22,24).
What are the key properties of 1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 370.72 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 57458615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).