2-(2-methylpropyl)-3,4-dihydropyrazole

C7H14N2 — CID 15415331

IUPAC2-(2-methylpropyl)-3,4-dihydropyrazole
SMILESCC(C)CN1CCC=N1
InChIInChI=1S/C7H14N2/c1-7(2)6-9-5-3-4-8-9/h4,7H,3,5-6H2,1-2H3
InChIKeySCXRJHKYZVZECJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds2

About 2-(2-methylpropyl)-3,4-dihydropyrazole

2-(2-methylpropyl)-3,4-dihydropyrazole (PubChem CID 15415331) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-3,4-dihydropyrazole
PubChem CID15415331
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-(2-methylpropyl)-3,4-dihydropyrazole
SMILESCC(C)CN1CCC=N1
InChIInChI=1S/C7H14N2/c1-7(2)6-9-5-3-4-8-9/h4,7H,3,5-6H2,1-2H3
InChIKeySCXRJHKYZVZECJ-UHFFFAOYSA-N
XLogP1.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(2-methylpropyl)-3,4-dihydropyrazole (CID 15415331) is 2-(2-methylpropyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2-methylpropyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(2-methylpropyl)-3,4-dihydropyrazole is CC(C)CN1CCC=N1.
What is the InChIKey of 2-(2-methylpropyl)-3,4-dihydropyrazole?
The InChIKey is SCXRJHKYZVZECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)6-9-5-3-4-8-9/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3,4-dihydropyrazole?
2-(2-methylpropyl)-3,4-dihydropyrazole has a molecular weight of 126.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3,4-dihydropyrazole is sourced from PubChem (CID 15415331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).