4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole

C13H14ClN3 — CID 115046230

IUPAC4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
SMILESClc1ccccc1-c1cn[nH]c1C1CCCN1
InChIInChI=1S/C13H14ClN3/c14-11-5-2-1-4-9(11)10-8-16-17-13(10)12-6-3-7-15-12/h1-2,4-5,8,12,15H,3,6-7H2,(H,16,17)
InChIKeyXTDWOIIVDSXDMG-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.15
Rot. Bonds2

About 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole

4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole (PubChem CID 115046230) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
PubChem CID115046230
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
SMILESClc1ccccc1-c1cn[nH]c1C1CCCN1
InChIInChI=1S/C13H14ClN3/c14-11-5-2-1-4-9(11)10-8-16-17-13(10)12-6-3-7-15-12/h1-2,4-5,8,12,15H,3,6-7H2,(H,16,17)
InChIKeyXTDWOIIVDSXDMG-UHFFFAOYSA-N
XLogP3.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-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

4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
CID 95730730
5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255754
4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
CID 95839872
4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole
CID 115018789
5-chloro-4-pyrrolidin-2-yl-1H-pyrazole
CID 84766127
5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 138691138
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
4-chloro-5-(2-chlorophenyl)-1H-pyrazole
CID 22916491
4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 135084268
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole
CID 142636907
(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
CID 130622124

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
The IUPAC name of 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole (CID 115046230) is 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole.
What is the SMILES notation for 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
The canonical SMILES for 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole is Clc1ccccc1-c1cn[nH]c1C1CCCN1.
What is the InChIKey of 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
The InChIKey is XTDWOIIVDSXDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-11-5-2-1-4-9(11)10-8-16-17-13(10)12-6-3-7-15-12/h1-2,4-5,8,12,15H,3,6-7H2,(H,16,17).
What are the key properties of 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole has a molecular weight of 247.73 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole is sourced from PubChem (CID 115046230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).