3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole

C10H13N3 — CID 13248995

IUPAC3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole
SMILESCc1ccc(C)n1-c1ccn(C)n1
InChIInChI=1S/C10H13N3/c1-8-4-5-9(2)13(8)10-6-7-12(3)11-10/h4-7H,1-3H3
InChIKeyRXHSFTMENSSYLC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.83
Rot. Bonds1

About 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole

3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole (PubChem CID 13248995) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole
PubChem CID13248995
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole
SMILESCc1ccc(C)n1-c1ccn(C)n1
InChIInChI=1S/C10H13N3/c1-8-4-5-9(2)13(8)10-6-7-12(3)11-10/h4-7H,1-3H3
InChIKeyRXHSFTMENSSYLC-UHFFFAOYSA-N
XLogP1.83
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_E(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole (CID 13248995) is 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole is Cc1ccc(C)n1-c1ccn(C)n1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole?
The InChIKey is RXHSFTMENSSYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-4-5-9(2)13(8)10-6-7-12(3)11-10/h4-7H,1-3H3.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole?
3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole has a molecular weight of 175.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole is sourced from PubChem (CID 13248995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).