N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide

C17H13ClFN3O — CID 86896466

IUPACN-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C17H13ClFN3O/c1-11-6-7-12(19)8-14(11)17(23)21-13-9-20-22(10-13)16-5-3-2-4-15(16)18/h2-10H,1H3,(H,21,23)
InChIKeyQQQITRRWDJMWDA-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.23
Rot. Bonds3

About N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide

N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 86896466) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide
PubChem CID86896466
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C17H13ClFN3O/c1-11-6-7-12(19)8-14(11)17(23)21-13-9-20-22(10-13)16-5-3-2-4-15(16)18/h2-10H,1H3,(H,21,23)
InChIKeyQQQITRRWDJMWDA-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 56782243
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 56782231
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 99821177
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
CID 111458977
N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-nitro-5-(sulfanylmethyl)benzamide
CID 126493391
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5-fluoro-2-methylbenzamide
CID 52544670
3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859281
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide
CID 122159392
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-cyanophenyl)urea
CID 86895935
N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 155962934
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea
CID 86895938

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide (CID 86896466) is N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is QQQITRRWDJMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c1-11-6-7-12(19)8-14(11)17(23)21-13-9-20-22(10-13)16-5-3-2-4-15(16)18/h2-10H,1H3,(H,21,23).
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide?
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 329.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 86896466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).