N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide

C18H15ClFN3O — CID 86946422

IUPACN-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnn(-c3ccccc3F)c2)cc1Cl
InChIInChI=1S/C18H15ClFN3O/c1-12-7-8-14(9-15(12)19)22(2)18(24)13-10-21-23(11-13)17-6-4-3-5-16(17)20/h3-11H,1-2H3
InChIKeyJWEQQJVCEQYLCT-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.25
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide

N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide (PubChem CID 86946422) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide
PubChem CID86946422
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnn(-c3ccccc3F)c2)cc1Cl
InChIInChI=1S/C18H15ClFN3O/c1-12-7-8-14(9-15(12)19)22(2)18(24)13-10-21-23(11-13)17-6-4-3-5-16(17)20/h3-11H,1-2H3
InChIKeyJWEQQJVCEQYLCT-UHFFFAOYSA-N
XLogP4.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide (CID 86946422) is N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide is Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is JWEQQJVCEQYLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-12-7-8-14(9-15(12)19)22(2)18(24)13-10-21-23(11-13)17-6-4-3-5-16(17)20/h3-11H,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide?
N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 343.79 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86946422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).