N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide

C16H18FN3O — CID 39853458

IUPACN-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(C2CCCC2)n1
InChIInChI=1S/C16H18FN3O/c1-11-10-15(20(19-11)12-6-2-3-7-12)18-16(21)13-8-4-5-9-14(13)17/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,21)
InChIKeyMJWVUGONDMWMLG-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.70
Rot. Bonds3

About N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide

N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide (PubChem CID 39853458) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
PubChem CID39853458
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(C2CCCC2)n1
InChIInChI=1S/C16H18FN3O/c1-11-10-15(20(19-11)12-6-2-3-7-12)18-16(21)13-8-4-5-9-14(13)17/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,21)
InChIKeyMJWVUGONDMWMLG-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 155523538
2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91938256
(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide
CID 39891309
3-(4-chlorophenyl)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)propanamide
CID 35593226
3,6-dichloro-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 35532648
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoylamino]-N-methyl-2-phenylacetamide
CID 72880120
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
[(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] 2-fluorobenzoate
CID 951419
5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide
CID 35535968
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172663101

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide?
The IUPAC name of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide (CID 39853458) is N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide is Cc1cc(NC(=O)c2ccccc2F)n(C2CCCC2)n1.
What is the InChIKey of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide?
The InChIKey is MJWVUGONDMWMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-10-15(20(19-11)12-6-2-3-7-12)18-16(21)13-8-4-5-9-14(13)17/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,21).
What are the key properties of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide?
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide has a molecular weight of 287.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 39853458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).