5-(4-pyrrol-1-ylphenyl)-1H-pyrazole

C13H11N3 — CID 3544553

IUPAC5-(4-pyrrol-1-ylphenyl)-1H-pyrazole
SMILESc1ccn(-c2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C13H11N3/c1-2-10-16(9-1)12-5-3-11(4-6-12)13-7-8-14-15-13/h1-10H,(H,14,15)
InChIKeyJHDOSEILZJTRHJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.87
Rot. Bonds2

About 5-(4-pyrrol-1-ylphenyl)-1H-pyrazole

5-(4-pyrrol-1-ylphenyl)-1H-pyrazole (PubChem CID 3544553) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(4-pyrrol-1-ylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-pyrrol-1-ylphenyl)-1H-pyrazole
PubChem CID3544553
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name5-(4-pyrrol-1-ylphenyl)-1H-pyrazole
SMILESc1ccn(-c2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C13H11N3/c1-2-10-16(9-1)12-5-3-11(4-6-12)13-7-8-14-15-13/h1-10H,(H,14,15)
InChIKeyJHDOSEILZJTRHJ-UHFFFAOYSA-N
XLogP2.87
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_G(4)', 'substructure': 'N/A'}

Analyze 5-(4-pyrrol-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

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
3-pyridin-4-yl-1H-indazole
CID 12412578
GW-6604
CID 9861063
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
5-(Pyridine-4-Yl)-3-(Trifluoromethyl)Pyrazole
CID 2822970
4-(1H-pyrazol-4-yl)quinoline
CID 4338220
2-(1H-Pyrazol-3-Yl)Pyridine
CID 2797657

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrrol-1-ylphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-pyrrol-1-ylphenyl)-1H-pyrazole (CID 3544553) is 5-(4-pyrrol-1-ylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-pyrrol-1-ylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-pyrrol-1-ylphenyl)-1H-pyrazole is c1ccn(-c2ccc(-c3ccn[nH]3)cc2)c1.
What is the InChIKey of 5-(4-pyrrol-1-ylphenyl)-1H-pyrazole?
The InChIKey is JHDOSEILZJTRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-10-16(9-1)12-5-3-11(4-6-12)13-7-8-14-15-13/h1-10H,(H,14,15).
What are the key properties of 5-(4-pyrrol-1-ylphenyl)-1H-pyrazole?
5-(4-pyrrol-1-ylphenyl)-1H-pyrazole has a molecular weight of 209.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrrol-1-ylphenyl)-1H-pyrazole is sourced from PubChem (CID 3544553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).