[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone

C27H27N3O3 — CID 59463320

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1ccc(C2(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)CCCC2)cc1
InChIInChI=1S/C27H27N3O3/c1-33-21-12-10-20(11-13-21)27(14-4-5-15-27)26(32)30-24(22-8-2-3-9-25(22)31)17-23(29-30)19-7-6-16-28-18-19/h2-3,6-13,16,18,24,31H,4-5,14-15,17H2,1H3
InChIKeyRXZDZJVZEQURCO-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.99
Rot. Bonds5

About [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone (PubChem CID 59463320) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
PubChem CID59463320
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1ccc(C2(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)CCCC2)cc1
InChIInChI=1S/C27H27N3O3/c1-33-21-12-10-20(11-13-21)27(14-4-5-15-27)26(32)30-24(22-8-2-3-9-25(22)31)17-23(29-30)19-7-6-16-28-18-19/h2-3,6-13,16,18,24,31H,4-5,14-15,17H2,1H3
InChIKeyRXZDZJVZEQURCO-UHFFFAOYSA-N
XLogP4.99
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 2975411
3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463175
3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 68704102
4-[(3S)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 96563642
2-[3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]benzoic acid
CID 3254809
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 59463250
1-[5-(3,5-dimethoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820212
(2-chlorophenyl)-[(3S)-3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 40554560
2-[(3R)-3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]benzoate
CID 7741724
3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463412
[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 7590767
[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 4550586

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone (CID 59463320) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone is COc1ccc(C2(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)CCCC2)cc1.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
The InChIKey is RXZDZJVZEQURCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-33-21-12-10-20(11-13-21)27(14-4-5-15-27)26(32)30-24(22-8-2-3-9-25(22)31)17-23(29-30)19-7-6-16-28-18-19/h2-3,6-13,16,18,24,31H,4-5,14-15,17H2,1H3.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone has a molecular weight of 441.53 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone is sourced from PubChem (CID 59463320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).