N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H8ClF2N3O — CID 83088170

IUPACN-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H8ClF2N3O/c1-5-7(4-15-17-5)11(18)16-10-8(12)2-6(13)3-9(10)14/h2-4H,1H3,(H,15,17)(H,16,18)
InChIKeyXDNAYWHNUGAPBM-UHFFFAOYSA-N
MW271.65 g/mol
LogP2.90
Rot. Bonds2

About N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 83088170) has the molecular formula C11H8ClF2N3O and a molecular weight of 271.65 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID83088170
Molecular FormulaC11H8ClF2N3O
Molecular Weight271.65 g/mol
Exact Mass271.03
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H8ClF2N3O/c1-5-7(4-15-17-5)11(18)16-10-8(12)2-6(13)3-9(10)14/h2-4H,1H3,(H,15,17)(H,16,18)
InChIKeyXDNAYWHNUGAPBM-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.65
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 81311633
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 104727965
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 107046486
2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide
CID 82889504
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 83082033
2-amino-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzamide
CID 83081775
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide
CID 83074413

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 83088170) is N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is XDNAYWHNUGAPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O/c1-5-7(4-15-17-5)11(18)16-10-8(12)2-6(13)3-9(10)14/h2-4H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 271.65 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 83088170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).