1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol

C16H20ClN3O2 — CID 141405346

IUPAC1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol
SMILESCOc1ccc(Cl)cc1-c1ccn(CCN2CCC(O)C2)n1
InChIInChI=1S/C16H20ClN3O2/c1-22-16-3-2-12(17)10-14(16)15-5-7-20(18-15)9-8-19-6-4-13(21)11-19/h2-3,5,7,10,13,21H,4,6,8-9,11H2,1H3
InChIKeyUYGIHTHVTUGVMB-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol

1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol (PubChem CID 141405346) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol
PubChem CID141405346
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol
SMILESCOc1ccc(Cl)cc1-c1ccn(CCN2CCC(O)C2)n1
InChIInChI=1S/C16H20ClN3O2/c1-22-16-3-2-12(17)10-14(16)15-5-7-20(18-15)9-8-19-6-4-13(21)11-19/h2-3,5,7,10,13,21H,4,6,8-9,11H2,1H3
InChIKeyUYGIHTHVTUGVMB-UHFFFAOYSA-N
XLogP2.28
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol 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-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111333934
1-[2-(3-aminopyrazol-1-yl)ethyl]-4-methylpiperidin-3-ol
CID 102955985
N-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 75834881
2-(5-chloro-2-methoxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029346
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
(3S)-1-[[2-(4-chlorophenyl)-5,8-dimethoxyquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70762576
4-chloro-1-[2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]pyrazole
CID 135110123
1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol
CID 74251022
1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol
CID 66764283
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 62941868

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol (CID 141405346) is 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol is COc1ccc(Cl)cc1-c1ccn(CCN2CCC(O)C2)n1.
What is the InChIKey of 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol?
The InChIKey is UYGIHTHVTUGVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-22-16-3-2-12(17)10-14(16)15-5-7-20(18-15)9-8-19-6-4-13(21)11-19/h2-3,5,7,10,13,21H,4,6,8-9,11H2,1H3.
What are the key properties of 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol?
1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol has a molecular weight of 321.81 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 141405346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).