1-(2-methylpropyl)pyrazole

C7H12N2 — CID 18769393

IUPAC1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1cccn1
InChIInChI=1S/C7H12N2/c1-7(2)6-9-5-3-4-8-9/h3-5,7H,6H2,1-2H3
InChIKeyHGZORUNWJQFEJI-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.54
Rot. Bonds2

About 1-(2-methylpropyl)pyrazole

1-(2-methylpropyl)pyrazole (PubChem CID 18769393) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name1-(2-methylpropyl)pyrazole
PubChem CID18769393
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1cccn1
InChIInChI=1S/C7H12N2/c1-7(2)6-9-5-3-4-8-9/h3-5,7H,6H2,1-2H3
InChIKeyHGZORUNWJQFEJI-UHFFFAOYSA-N
XLogP1.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)pyrazole?
The IUPAC name of 1-(2-methylpropyl)pyrazole (CID 18769393) is 1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 1-(2-methylpropyl)pyrazole?
The canonical SMILES for 1-(2-methylpropyl)pyrazole is CC(C)Cn1cccn1.
What is the InChIKey of 1-(2-methylpropyl)pyrazole?
The InChIKey is HGZORUNWJQFEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2)6-9-5-3-4-8-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)pyrazole?
1-(2-methylpropyl)pyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 18769393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).