N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide

C17H12ClF2N3O — CID 53197884

IUPACN-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
SMILESCc1[nH]nc(NC(=O)c2cc(F)cc(F)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C17H12ClF2N3O/c1-9-15(10-3-2-4-12(18)5-10)16(23-22-9)21-17(24)11-6-13(19)8-14(20)7-11/h2-8H,1H3,(H2,21,22,23,24)
InChIKeyDQUBJYOTHBBPTD-UHFFFAOYSA-N
MW347.75 g/mol
LogP4.57
Rot. Bonds3

About N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide

N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide (PubChem CID 53197884) has the molecular formula C17H12ClF2N3O and a molecular weight of 347.75 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
PubChem CID53197884
Molecular FormulaC17H12ClF2N3O
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC NameN-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
SMILESCc1[nH]nc(NC(=O)c2cc(F)cc(F)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C17H12ClF2N3O/c1-9-15(10-3-2-4-12(18)5-10)16(23-22-9)21-17(24)11-6-13(19)8-14(20)7-11/h2-8H,1H3,(H2,21,22,23,24)
InChIKeyDQUBJYOTHBBPTD-UHFFFAOYSA-N
XLogP4.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197846
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 75426614
3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197830
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102
3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42687572
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide
CID 167982740
3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide
CID 156583771
N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 53197836
1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 138020489
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide
CID 46899010
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide?
The IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide (CID 53197884) is N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide is Cc1[nH]nc(NC(=O)c2cc(F)cc(F)c2)c1-c1cccc(Cl)c1.
What is the InChIKey of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide?
The InChIKey is DQUBJYOTHBBPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O/c1-9-15(10-3-2-4-12(18)5-10)16(23-22-9)21-17(24)11-6-13(19)8-14(20)7-11/h2-8H,1H3,(H2,21,22,23,24).
What are the key properties of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide?
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide has a molecular weight of 347.75 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide is sourced from PubChem (CID 53197884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).