5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole

C15H15N3 — CID 1474504

IUPAC5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole
SMILESCc1ccc(C)n1-c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H15N3/c1-11-3-4-12(2)18(11)14-7-5-13(6-8-14)15-9-10-16-17-15/h3-10H,1-2H3,(H,16,17)
InChIKeyHIZICVBMBKOZOF-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.48
Rot. Bonds2

About 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole

5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole (PubChem CID 1474504) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole
PubChem CID1474504
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole
SMILESCc1ccc(C)n1-c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H15N3/c1-11-3-4-12(2)18(11)14-7-5-13(6-8-14)15-9-10-16-17-15/h3-10H,1-2H3,(H,16,17)
InChIKeyHIZICVBMBKOZOF-UHFFFAOYSA-N
XLogP3.48
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole (CID 1474504) is 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole is Cc1ccc(C)n1-c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole?
The InChIKey is HIZICVBMBKOZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-3-4-12(2)18(11)14-7-5-13(6-8-14)15-9-10-16-17-15/h3-10H,1-2H3,(H,16,17).
What are the key properties of 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole?
5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole has a molecular weight of 237.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 1474504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).