N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide

C18H23N3O — CID 53033030

IUPACN-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NC2CCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O/c1-21-13-15(18(20-21)14-7-3-2-4-8-14)11-12-17(22)19-16-9-5-6-10-16/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,19,22)
InChIKeyAVLZDRIBNDPDOX-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.08
Rot. Bonds5

About N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide

N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide (PubChem CID 53033030) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
PubChem CID53033030
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NC2CCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O/c1-21-13-15(18(20-21)14-7-3-2-4-8-14)11-12-17(22)19-16-9-5-6-10-16/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,19,22)
InChIKeyAVLZDRIBNDPDOX-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033035
3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95065889
N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 53033046
N-cyclohexyl-2-[[4-methyl-5-(1-methyl-3-phenylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53127960
N-cyclopropyl-3-(4,5-diphenylimidazol-1-yl)propanamide
CID 110436229
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752
N-cyclopentyl-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 35762567
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide
CID 20877509
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53058845
cis-(1S,2R)-2-[methyl-[(1-methyl-3-phenylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 77082472
N-cyclopentyl-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 6619700

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide (CID 53033030) is N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NC2CCCC2)c(-c2ccccc2)n1.
What is the InChIKey of N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide?
The InChIKey is AVLZDRIBNDPDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21-13-15(18(20-21)14-7-3-2-4-8-14)11-12-17(22)19-16-9-5-6-10-16/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide?
N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 53033030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).