1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide

C16H14ClFN4O2 — CID 2745730

IUPAC1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
SMILESCNC(=O)c1c(C)nn(-c2ccc(F)c(Cl)c2)c1-c1cc(C)on1
InChIInChI=1S/C16H14ClFN4O2/c1-8-6-13(21-24-8)15-14(16(23)19-3)9(2)20-22(15)10-4-5-12(18)11(17)7-10/h4-7H,1-3H3,(H,19,23)
InChIKeyHGIHGWMZWKGWBR-UHFFFAOYSA-N
MW348.77 g/mol
LogP3.30
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide

1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide (PubChem CID 2745730) has the molecular formula C16H14ClFN4O2 and a molecular weight of 348.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
PubChem CID2745730
Molecular FormulaC16H14ClFN4O2
Molecular Weight348.77 g/mol
Exact Mass348.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
SMILESCNC(=O)c1c(C)nn(-c2ccc(F)c(Cl)c2)c1-c1cc(C)on1
InChIInChI=1S/C16H14ClFN4O2/c1-8-6-13(21-24-8)15-14(16(23)19-3)9(2)20-22(15)10-4-5-12(18)11(17)7-10/h4-7H,1-3H3,(H,19,23)
InChIKeyHGIHGWMZWKGWBR-UHFFFAOYSA-N
XLogP3.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide (CID 2745730) is 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide is CNC(=O)c1c(C)nn(-c2ccc(F)c(Cl)c2)c1-c1cc(C)on1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is HGIHGWMZWKGWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O2/c1-8-6-13(21-24-8)15-14(16(23)19-3)9(2)20-22(15)10-4-5-12(18)11(17)7-10/h4-7H,1-3H3,(H,19,23).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 348.77 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 2745730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).