N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide

C18H23N3O — CID 47007012

IUPACN-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C18H23N3O/c22-18(11-10-15-6-4-5-7-15)20-17-12-13-19-21(17)14-16-8-2-1-3-9-16/h1-3,8-9,12-13,15H,4-7,10-11,14H2,(H,20,22)
InChIKeyQSQSIVCXWOROAA-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.84
Rot. Bonds6

About N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide

N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide (PubChem CID 47007012) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide
PubChem CID47007012
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C18H23N3O/c22-18(11-10-15-6-4-5-7-15)20-17-12-13-19-21(17)14-16-8-2-1-3-9-16/h1-3,8-9,12-13,15H,4-7,10-11,14H2,(H,20,22)
InChIKeyQSQSIVCXWOROAA-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 55395938
N-(2-benzylpyrazol-3-yl)-N'-(2-cyanoethyl)-N'-phenylbutanediamide
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N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 8810788
N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide
CID 35577295
N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55631067
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137864
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide
CID 51233551
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 78806592

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide (CID 47007012) is N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide is O=C(CCC1CCCC1)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide?
The InChIKey is QSQSIVCXWOROAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(11-10-15-6-4-5-7-15)20-17-12-13-19-21(17)14-16-8-2-1-3-9-16/h1-3,8-9,12-13,15H,4-7,10-11,14H2,(H,20,22).
What are the key properties of N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide?
N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide has a molecular weight of 297.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide is sourced from PubChem (CID 47007012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).