3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole

C9H12N4 — CID 15210309

IUPAC3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole
SMILESCc1ccn(Cn2ccc(C)n2)n1
InChIInChI=1S/C9H12N4/c1-8-3-5-12(10-8)7-13-6-4-9(2)11-13/h3-6H,7H2,1-2H3
InChIKeyPJBCRCGOAILBKK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.20
Rot. Bonds2

About 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole

3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole (PubChem CID 15210309) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole
PubChem CID15210309
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole
SMILESCc1ccn(Cn2ccc(C)n2)n1
InChIInChI=1S/C9H12N4/c1-8-3-5-12(10-8)7-13-6-4-9(2)11-13/h3-6H,7H2,1-2H3
InChIKeyPJBCRCGOAILBKK-UHFFFAOYSA-N
XLogP1.20
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole (CID 15210309) is 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole is Cc1ccn(Cn2ccc(C)n2)n1.
What is the InChIKey of 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole?
The InChIKey is PJBCRCGOAILBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-8-3-5-12(10-8)7-13-6-4-9(2)11-13/h3-6H,7H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole?
3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole has a molecular weight of 176.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methylpyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 15210309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).