4-tert-butyl-2,3-dihydro-1H-pyrazole

C7H14N2 — CID 59536700

IUPAC4-tert-butyl-2,3-dihydro-1H-pyrazole
SMILESCC(C)(C)C1=CNNC1
InChIInChI=1S/C7H14N2/c1-7(2,3)6-4-8-9-5-6/h4,8-9H,5H2,1-3H3
InChIKeyXSFPKROSSHITQL-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.02
Rot. Bonds

About 4-tert-butyl-2,3-dihydro-1H-pyrazole

4-tert-butyl-2,3-dihydro-1H-pyrazole (PubChem CID 59536700) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name4-tert-butyl-2,3-dihydro-1H-pyrazole
PubChem CID59536700
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4-tert-butyl-2,3-dihydro-1H-pyrazole
SMILESCC(C)(C)C1=CNNC1
InChIInChI=1S/C7H14N2/c1-7(2,3)6-4-8-9-5-6/h4,8-9H,5H2,1-3H3
InChIKeyXSFPKROSSHITQL-UHFFFAOYSA-N
XLogP1.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2,3-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 4-tert-butyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of 4-tert-butyl-2,3-dihydro-1H-pyrazole (CID 59536700) is 4-tert-butyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 4-tert-butyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 4-tert-butyl-2,3-dihydro-1H-pyrazole is CC(C)(C)C1=CNNC1.
What is the InChIKey of 4-tert-butyl-2,3-dihydro-1H-pyrazole?
The InChIKey is XSFPKROSSHITQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2,3)6-4-8-9-5-6/h4,8-9H,5H2,1-3H3.
What are the key properties of 4-tert-butyl-2,3-dihydro-1H-pyrazole?
4-tert-butyl-2,3-dihydro-1H-pyrazole has a molecular weight of 126.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 59536700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).