N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide

C12H12FN3O — CID 39854004

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
SMILESCc1nn(C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C12H12FN3O/c1-8-11(7-16(2)15-8)14-12(17)9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,17)
InChIKeyFPBCUOXNPQMGAD-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.12
Rot. Bonds2

About N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide

N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide (PubChem CID 39854004) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
PubChem CID39854004
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
SMILESCc1nn(C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C12H12FN3O/c1-8-11(7-16(2)15-8)14-12(17)9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,17)
InChIKeyFPBCUOXNPQMGAD-UHFFFAOYSA-N
XLogP2.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346092
2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]-3-fluorobenzoic acid
CID 102806561
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
1-chloro-N-(1,3-dimethylpyrazol-4-yl)isoquinoline-4-carboxamide
CID 106766455
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide
CID 102805391
N-(1,3-dimethylpyrazol-4-yl)-2,5-difluoro-4-nitrobenzamide
CID 104705201
N-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134709973
N-(1,3-dimethylpyrazol-4-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 102807240
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-nitrobenzamide
CID 103733966
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide
CID 154196668

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide (CID 39854004) is N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide is Cc1nn(C)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide?
The InChIKey is FPBCUOXNPQMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-11(7-16(2)15-8)14-12(17)9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide?
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide has a molecular weight of 233.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 39854004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).