N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide

C14H14ClF2N3O — CID 71858665

IUPACN-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CC(F)F)c2cccc(Cl)c2)nn1C
InChIInChI=1S/C14H14ClF2N3O/c1-9-6-12(18-19(9)2)14(21)20(8-13(16)17)11-5-3-4-10(15)7-11/h3-7,13H,8H2,1-2H3
InChIKeyYEMLXGQPACPCMU-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.29
Rot. Bonds4

About N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide

N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 71858665) has the molecular formula C14H14ClF2N3O and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID71858665
Molecular FormulaC14H14ClF2N3O
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC NameN-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CC(F)F)c2cccc(Cl)c2)nn1C
InChIInChI=1S/C14H14ClF2N3O/c1-9-6-12(18-19(9)2)14(21)20(8-13(16)17)11-5-3-4-10(15)7-11/h3-7,13H,8H2,1-2H3
InChIKeyYEMLXGQPACPCMU-UHFFFAOYSA-N
XLogP3.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide (CID 71858665) is N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(CC(F)F)c2cccc(Cl)c2)nn1C.
What is the InChIKey of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is YEMLXGQPACPCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O/c1-9-6-12(18-19(9)2)14(21)20(8-13(16)17)11-5-3-4-10(15)7-11/h3-7,13H,8H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 71858665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).