3-butyl-4,5-dihydro-1H-pyrazole

C7H14N2 — CID 12592810

IUPAC3-butyl-4,5-dihydro-1H-pyrazole
SMILESCCCCC1=NNCC1
InChIInChI=1S/C7H14N2/c1-2-3-4-7-5-6-8-9-7/h8H,2-6H2,1H3
InChIKeySMIUEVAIBQHTIN-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.53
Rot. Bonds3

About 3-butyl-4,5-dihydro-1H-pyrazole

3-butyl-4,5-dihydro-1H-pyrazole (PubChem CID 12592810) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-butyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-butyl-4,5-dihydro-1H-pyrazole
PubChem CID12592810
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-butyl-4,5-dihydro-1H-pyrazole
SMILESCCCCC1=NNCC1
InChIInChI=1S/C7H14N2/c1-2-3-4-7-5-6-8-9-7/h8H,2-6H2,1H3
InChIKeySMIUEVAIBQHTIN-UHFFFAOYSA-N
XLogP1.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butyl-4,5-dihydro-1H-pyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-butyl-4,5-dihydro-1H-pyrazole (CID 12592810) is 3-butyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-butyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-butyl-4,5-dihydro-1H-pyrazole is CCCCC1=NNCC1.
What is the InChIKey of 3-butyl-4,5-dihydro-1H-pyrazole?
The InChIKey is SMIUEVAIBQHTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-4-7-5-6-8-9-7/h8H,2-6H2,1H3.
What are the key properties of 3-butyl-4,5-dihydro-1H-pyrazole?
3-butyl-4,5-dihydro-1H-pyrazole has a molecular weight of 126.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 12592810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).