N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide

C16H19N3O — CID 78793945

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H19N3O/c1-12-6-2-5-9-14(12)16(20)18-15-10-11-17-19(15)13-7-3-4-8-13/h2,5-6,9-11,13H,3-4,7-8H2,1H3,(H,18,20)
InChIKeyKJOOYECIVJPKIB-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.56
Rot. Bonds3

About N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide

N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide (PubChem CID 78793945) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
PubChem CID78793945
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H19N3O/c1-12-6-2-5-9-14(12)16(20)18-15-10-11-17-19(15)13-7-3-4-8-13/h2,5-6,9-11,13H,3-4,7-8H2,1H3,(H,18,20)
InChIKeyKJOOYECIVJPKIB-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 56749459
N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 42376458
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 26332273
2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24790620
2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24793147
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25447155
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24794158
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42100254
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide (CID 78793945) is N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide?
The InChIKey is KJOOYECIVJPKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-6-2-5-9-14(12)16(20)18-15-10-11-17-19(15)13-7-3-4-8-13/h2,5-6,9-11,13H,3-4,7-8H2,1H3,(H,18,20).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide?
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide has a molecular weight of 269.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide is sourced from PubChem (CID 78793945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).