5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole

C15H18ClN3O — CID 95804657

IUPAC5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
SMILESClc1ccccc1OCCc1cc([C@@H]2CCNC2)n[nH]1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-2-4-15(13)20-8-6-12-9-14(19-18-12)11-5-7-17-10-11/h1-4,9,11,17H,5-8,10H2,(H,18,19)/t11-/m1/s1
InChIKeyRCNWQTOFJBQQII-LLVKDONJSA-N
MW291.78 g/mol
LogP2.76
Rot. Bonds5

About 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole

5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole (PubChem CID 95804657) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
PubChem CID95804657
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
SMILESClc1ccccc1OCCc1cc([C@@H]2CCNC2)n[nH]1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-2-4-15(13)20-8-6-12-9-14(19-18-12)11-5-7-17-10-11/h1-4,9,11,17H,5-8,10H2,(H,18,19)/t11-/m1/s1
InChIKeyRCNWQTOFJBQQII-LLVKDONJSA-N
XLogP2.76
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole (CID 95804657) is 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole is Clc1ccccc1OCCc1cc([C@@H]2CCNC2)n[nH]1.
What is the InChIKey of 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is RCNWQTOFJBQQII-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-3-1-2-4-15(13)20-8-6-12-9-14(19-18-12)11-5-7-17-10-11/h1-4,9,11,17H,5-8,10H2,(H,18,19)/t11-/m1/s1.
What are the key properties of 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole?
5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 291.78 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 95804657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).