3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole

C15H15N3 — CID 617033

IUPAC3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole
SMILESCc1cc(C)n(-c2ccc(-n3cccc3)cc2)n1
InChIInChI=1S/C15H15N3/c1-12-11-13(2)18(16-12)15-7-5-14(6-8-15)17-9-3-4-10-17/h3-11H,1-2H3
InChIKeyJESGXNHYIMULQV-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.28
Rot. Bonds2

About 3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole

3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole (PubChem CID 617033) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole
PubChem CID617033
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole
SMILESCc1cc(C)n(-c2ccc(-n3cccc3)cc2)n1
InChIInChI=1S/C15H15N3/c1-12-11-13(2)18(16-12)15-7-5-14(6-8-15)17-9-3-4-10-17/h3-11H,1-2H3
InChIKeyJESGXNHYIMULQV-UHFFFAOYSA-N
XLogP3.28
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole (CID 617033) is 3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole is Cc1cc(C)n(-c2ccc(-n3cccc3)cc2)n1.
What is the InChIKey of 3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole?
The InChIKey is JESGXNHYIMULQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-12-11-13(2)18(16-12)15-7-5-14(6-8-15)17-9-3-4-10-17/h3-11H,1-2H3.
What are the key properties of 3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole?
3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole has a molecular weight of 237.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-pyrrol-1-ylphenyl)pyrazole is sourced from PubChem (CID 617033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).