1-benzyl-3-methylpyrazole

C11H12N2 — CID 10419637

IUPAC1-benzyl-3-methylpyrazole
SMILESCc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C11H12N2/c1-10-7-8-13(12-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyPFUAZMMGWCSYPQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.24
Rot. Bonds2

About 1-benzyl-3-methylpyrazole

1-benzyl-3-methylpyrazole (PubChem CID 10419637) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-benzyl-3-methylpyrazole.

Molecular Properties

Compound Name1-benzyl-3-methylpyrazole
PubChem CID10419637
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-benzyl-3-methylpyrazole
SMILESCc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C11H12N2/c1-10-7-8-13(12-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyPFUAZMMGWCSYPQ-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylpyrazole?
The IUPAC name of 1-benzyl-3-methylpyrazole (CID 10419637) is 1-benzyl-3-methylpyrazole.
What is the SMILES notation for 1-benzyl-3-methylpyrazole?
The canonical SMILES for 1-benzyl-3-methylpyrazole is Cc1ccn(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-3-methylpyrazole?
The InChIKey is PFUAZMMGWCSYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-10-7-8-13(12-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-benzyl-3-methylpyrazole?
1-benzyl-3-methylpyrazole has a molecular weight of 172.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylpyrazole is sourced from PubChem (CID 10419637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).