N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide

C18H16FN3O — CID 51275491

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1F
InChIInChI=1S/C18H16FN3O/c1-12-17(20-18(23)15-10-6-7-11-16(15)19)13(2)22(21-12)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,23)
InChIKeySNBKKNNVESYXJR-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.88
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide (PubChem CID 51275491) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
PubChem CID51275491
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1F
InChIInChI=1S/C18H16FN3O/c1-12-17(20-18(23)15-10-6-7-11-16(15)19)13(2)22(21-12)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,23)
InChIKeySNBKKNNVESYXJR-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide
CID 99812912
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-fluorobenzohydrazide
CID 51274472
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
CID 16575328
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-methyl-3-nitrobenzamide
CID 51275512
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 26246659
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 71943860
5-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-nitrobenzamide
CID 16960970
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide (CID 51275491) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1F.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide?
The InChIKey is SNBKKNNVESYXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-17(20-18(23)15-10-6-7-11-16(15)19)13(2)22(21-12)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide has a molecular weight of 309.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 51275491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).