5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide

C11H9ClFN3O — CID 71247916

IUPAC5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(N)=O)cc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H9ClFN3O/c1-16-10(5-9(15-16)11(14)17)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,17)
InChIKeyAYHGTENIFLJFIP-UHFFFAOYSA-N
MW253.66 g/mol
LogP1.98
Rot. Bonds2

About 5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide

5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 71247916) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID71247916
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(N)=O)cc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H9ClFN3O/c1-16-10(5-9(15-16)11(14)17)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,17)
InChIKeyAYHGTENIFLJFIP-UHFFFAOYSA-N
XLogP1.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide (CID 71247916) is 5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(N)=O)cc1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is AYHGTENIFLJFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-16-10(5-9(15-16)11(14)17)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,17).
What are the key properties of 5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide?
5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 253.66 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 71247916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).