1-(4,4-dimethylhexyl)pyrazole

C11H20N2 — CID 166788525

IUPAC1-(4,4-dimethylhexyl)pyrazole
SMILESCCC(C)(C)CCCn1cccn1
InChIInChI=1S/C11H20N2/c1-4-11(2,3)7-5-9-13-10-6-8-12-13/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyYQIVKOUCYVBPCP-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.10
Rot. Bonds5

About 1-(4,4-dimethylhexyl)pyrazole

1-(4,4-dimethylhexyl)pyrazole (PubChem CID 166788525) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(4,4-dimethylhexyl)pyrazole.

Molecular Properties

Compound Name1-(4,4-dimethylhexyl)pyrazole
PubChem CID166788525
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(4,4-dimethylhexyl)pyrazole
SMILESCCC(C)(C)CCCn1cccn1
InChIInChI=1S/C11H20N2/c1-4-11(2,3)7-5-9-13-10-6-8-12-13/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyYQIVKOUCYVBPCP-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-dimethylhexyl)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

1-(4,4,4-trifluorobutyl)pyrazole
CID 115518539
2-(ethylamino)-2-methyl-5-pyrazol-1-ylpentan-1-ol
CID 64811318
2,2-dimethyl-5-pyrazol-1-ylpentanimidamide
CID 65258391
3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 115612293
1-pentylpyrazole;propane
CID 156859541
2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid
CID 106806593
N-tert-butyl-5-pyrazol-1-ylpentan-1-amine
CID 62447161
1-(4-fluorobutyl)pyrazole
CID 89149244
4-pyrazol-1-ylbutan-1-ol
CID 43509832
1-(3-bromopropyl)pyrazole;hydrobromide
CID 155944004
1-(3-ethylsulfanylpropyl)pyrazole
CID 115651086
4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine
CID 106139974

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylhexyl)pyrazole?
The IUPAC name of 1-(4,4-dimethylhexyl)pyrazole (CID 166788525) is 1-(4,4-dimethylhexyl)pyrazole.
What is the SMILES notation for 1-(4,4-dimethylhexyl)pyrazole?
The canonical SMILES for 1-(4,4-dimethylhexyl)pyrazole is CCC(C)(C)CCCn1cccn1.
What is the InChIKey of 1-(4,4-dimethylhexyl)pyrazole?
The InChIKey is YQIVKOUCYVBPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-11(2,3)7-5-9-13-10-6-8-12-13/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 1-(4,4-dimethylhexyl)pyrazole?
1-(4,4-dimethylhexyl)pyrazole has a molecular weight of 180.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylhexyl)pyrazole is sourced from PubChem (CID 166788525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).