1-methyl-4-(2-methylprop-1-enyl)pyrazole

C8H12N2 — CID 155941655

IUPAC1-methyl-4-(2-methylprop-1-enyl)pyrazole
SMILESCC(C)=Cc1cnn(C)c1
InChIInChI=1S/C8H12N2/c1-7(2)4-8-5-9-10(3)6-8/h4-6H,1-3H3
InChIKeyOXGTWEBSBXDEFQ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.84
Rot. Bonds1

About 1-methyl-4-(2-methylprop-1-enyl)pyrazole

1-methyl-4-(2-methylprop-1-enyl)pyrazole (PubChem CID 155941655) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-methyl-4-(2-methylprop-1-enyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(2-methylprop-1-enyl)pyrazole
PubChem CID155941655
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-methyl-4-(2-methylprop-1-enyl)pyrazole
SMILESCC(C)=Cc1cnn(C)c1
InChIInChI=1S/C8H12N2/c1-7(2)4-8-5-9-10(3)6-8/h4-6H,1-3H3
InChIKeyOXGTWEBSBXDEFQ-UHFFFAOYSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylprop-1-enyl)pyrazole?
The IUPAC name of 1-methyl-4-(2-methylprop-1-enyl)pyrazole (CID 155941655) is 1-methyl-4-(2-methylprop-1-enyl)pyrazole.
What is the SMILES notation for 1-methyl-4-(2-methylprop-1-enyl)pyrazole?
The canonical SMILES for 1-methyl-4-(2-methylprop-1-enyl)pyrazole is CC(C)=Cc1cnn(C)c1.
What is the InChIKey of 1-methyl-4-(2-methylprop-1-enyl)pyrazole?
The InChIKey is OXGTWEBSBXDEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(2)4-8-5-9-10(3)6-8/h4-6H,1-3H3.
What are the key properties of 1-methyl-4-(2-methylprop-1-enyl)pyrazole?
1-methyl-4-(2-methylprop-1-enyl)pyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylprop-1-enyl)pyrazole is sourced from PubChem (CID 155941655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).