5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole

C13H14ClN3 — CID 117372547

IUPAC5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole
SMILESClc1ccnn1-c1ccc(C2CCCN2)cc1
InChIInChI=1S/C13H14ClN3/c14-13-7-9-16-17(13)11-5-3-10(4-6-11)12-2-1-8-15-12/h3-7,9,12,15H,1-2,8H2
InChIKeyLVTJUZAGQJYTRP-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.95
Rot. Bonds2

About 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole

5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole (PubChem CID 117372547) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole
PubChem CID117372547
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole
SMILESClc1ccnn1-c1ccc(C2CCCN2)cc1
InChIInChI=1S/C13H14ClN3/c14-13-7-9-16-17(13)11-5-3-10(4-6-11)12-2-1-8-15-12/h3-7,9,12,15H,1-2,8H2
InChIKeyLVTJUZAGQJYTRP-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole 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

2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine
CID 117491380
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride
CID 163230247
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-(4-pyrrolidin-3-ylphenyl)pyrrolidine
CID 116988431
4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117365564
2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
CID 117336462
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole?
The IUPAC name of 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole (CID 117372547) is 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole.
What is the SMILES notation for 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole?
The canonical SMILES for 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole is Clc1ccnn1-c1ccc(C2CCCN2)cc1.
What is the InChIKey of 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole?
The InChIKey is LVTJUZAGQJYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-13-7-9-16-17(13)11-5-3-10(4-6-11)12-2-1-8-15-12/h3-7,9,12,15H,1-2,8H2.
What are the key properties of 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole?
5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole has a molecular weight of 247.73 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole is sourced from PubChem (CID 117372547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).