N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide

C12H12FN3O — CID 894729

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C12H12FN3O/c1-7-11(8(2)16-15-7)14-12(17)9-4-3-5-10(13)6-9/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyFNWGLYABYNOQHG-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.42
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide (PubChem CID 894729) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
PubChem CID894729
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C12H12FN3O/c1-7-11(8(2)16-15-7)14-12(17)9-4-3-5-10(13)6-9/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyFNWGLYABYNOQHG-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935
3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42687572
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 43399198
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 43546652
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide
CID 43547708
3-fluoro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzamide
CID 110732565
3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 86846328
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 62662395
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-2-nitrobenzamide
CID 60877333

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide (CID 894729) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide is Cc1n[nH]c(C)c1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide?
The InChIKey is FNWGLYABYNOQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-11(8(2)16-15-7)14-12(17)9-4-3-5-10(13)6-9/h3-6H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide has a molecular weight of 233.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide is sourced from PubChem (CID 894729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).