5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole

C13H15N3 — CID 138542816

IUPAC5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole
SMILESc1ccc(N2CCCC2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C13H15N3/c1-2-6-13(16-9-3-4-10-16)11(5-1)12-7-8-14-15-12/h1-2,5-8H,3-4,9-10H2,(H,14,15)
InChIKeyVYZSHTBRPPGDOH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.68
Rot. Bonds2

About 5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole

5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole (PubChem CID 138542816) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole
PubChem CID138542816
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole
SMILESc1ccc(N2CCCC2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C13H15N3/c1-2-6-13(16-9-3-4-10-16)11(5-1)12-7-8-14-15-12/h1-2,5-8H,3-4,9-10H2,(H,14,15)
InChIKeyVYZSHTBRPPGDOH-UHFFFAOYSA-N
XLogP2.68
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-pyrrolidin-1-ylphenyl)-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

5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole
CID 168513267
4-(2-piperidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117358181
4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol
CID 153039721
1-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 168513578
5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 141365895
5-piperidin-1-yl-1H-cyclopenta[b]pyridine
CID 57251948
N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692559
2-(2-piperidin-1-ylphenyl)pyrazine
CID 134967164
2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid
CID 22936282
[2-(1H-pyrazol-5-yl)phenyl]hydrazine
CID 55279278
5-naphthalen-1-yl-1H-pyrazole
CID 174464397
2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide
CID 71292372

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole?
The IUPAC name of 5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole (CID 138542816) is 5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole is c1ccc(N2CCCC2)c(-c2ccn[nH]2)c1.
What is the InChIKey of 5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole?
The InChIKey is VYZSHTBRPPGDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-6-13(16-9-3-4-10-16)11(5-1)12-7-8-14-15-12/h1-2,5-8H,3-4,9-10H2,(H,14,15).
What are the key properties of 5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole?
5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole has a molecular weight of 213.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole is sourced from PubChem (CID 138542816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).