1-methyl-3-(2-methylpropyl)pyrazole

C8H14N2 — CID 23573148

IUPAC1-methyl-3-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1ccn(C)n1
InChIInChI=1S/C8H14N2/c1-7(2)6-8-4-5-10(3)9-8/h4-5,7H,6H2,1-3H3
InChIKeyAUUHDFFQEOSUAH-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.62
Rot. Bonds2

About 1-methyl-3-(2-methylpropyl)pyrazole

1-methyl-3-(2-methylpropyl)pyrazole (PubChem CID 23573148) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)pyrazole
PubChem CID23573148
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-methyl-3-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1ccn(C)n1
InChIInChI=1S/C8H14N2/c1-7(2)6-8-4-5-10(3)9-8/h4-5,7H,6H2,1-3H3
InChIKeyAUUHDFFQEOSUAH-UHFFFAOYSA-N
XLogP1.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)pyrazole?
The IUPAC name of 1-methyl-3-(2-methylpropyl)pyrazole (CID 23573148) is 1-methyl-3-(2-methylpropyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)pyrazole?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)pyrazole is CC(C)Cc1ccn(C)n1.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)pyrazole?
The InChIKey is AUUHDFFQEOSUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)6-8-4-5-10(3)9-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 1-methyl-3-(2-methylpropyl)pyrazole?
1-methyl-3-(2-methylpropyl)pyrazole has a molecular weight of 138.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)pyrazole is sourced from PubChem (CID 23573148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).