3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole

C7H14N2 — CID 163477104

IUPAC3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole
SMILESCC(C)CC1CCN=N1
InChIInChI=1S/C7H14N2/c1-6(2)5-7-3-4-8-9-7/h6-7H,3-5H2,1-2H3
InChIKeyCBKCHQUWWTTYEQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.26
Rot. Bonds2

About 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole

3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole (PubChem CID 163477104) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole
PubChem CID163477104
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole
SMILESCC(C)CC1CCN=N1
InChIInChI=1S/C7H14N2/c1-6(2)5-7-3-4-8-9-7/h6-7H,3-5H2,1-2H3
InChIKeyCBKCHQUWWTTYEQ-UHFFFAOYSA-N
XLogP2.26
TPSA24.72 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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
methane;2-methylpropylcyclopentane
CID 161254337
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
3-methyl-5-(2-methylpropyl)-3,4,7,8-tetrahydro-1,2,4,6-tetrazocine
CID 141031580
[3-(2-methylpropyl)cyclopentyl]methanol
CID 90809607
N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine
CID 155019686
CID 10013197
CID 10013197
2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole
CID 174666856
6-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 154519615
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole (CID 163477104) is 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole is CC(C)CC1CCN=N1.
What is the InChIKey of 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole?
The InChIKey is CBKCHQUWWTTYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)5-7-3-4-8-9-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole?
3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole has a molecular weight of 126.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 163477104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).