1-(2,4,4-trimethylpentan-2-yl)pyrazole

C11H20N2 — CID 123161936

IUPAC1-(2,4,4-trimethylpentan-2-yl)pyrazole
SMILESCC(C)(C)CC(C)(C)n1cccn1
InChIInChI=1S/C11H20N2/c1-10(2,3)9-11(4,5)13-8-6-7-12-13/h6-8H,9H2,1-5H3
InChIKeyAJYDEQZBSFZYOH-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.05
Rot. Bonds2

About 1-(2,4,4-trimethylpentan-2-yl)pyrazole

1-(2,4,4-trimethylpentan-2-yl)pyrazole (PubChem CID 123161936) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(2,4,4-trimethylpentan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(2,4,4-trimethylpentan-2-yl)pyrazole
PubChem CID123161936
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(2,4,4-trimethylpentan-2-yl)pyrazole
SMILESCC(C)(C)CC(C)(C)n1cccn1
InChIInChI=1S/C11H20N2/c1-10(2,3)9-11(4,5)13-8-6-7-12-13/h6-8H,9H2,1-5H3
InChIKeyAJYDEQZBSFZYOH-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4,4-trimethylpentan-2-yl)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-(2-methyl-1-pyrrol-1-ylpropan-2-yl)pyrazole
CID 164661981
1-tert-butylpyrazole;ethane;methane
CID 159210260
1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane
CID 161305054
1-(1,1,2,2-tetrafluoropropyl)pyrazole
CID 137473825
1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole
CID 24999461
1-(1,1-diphenylethyl)pyrazole
CID 58756168
2-cyclopropyl-2-pyrazol-1-ylpropan-1-amine
CID 82502923
diethyl 2-methyl-2-pyrazol-1-ylpropanedioate
CID 126673792
CID 166123273
CID 166123273
1-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 87584131
2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one
CID 139460671
1,4-bis(2,4,4-trimethylpentan-2-yl)triazole
CID 123345375

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4-trimethylpentan-2-yl)pyrazole?
The IUPAC name of 1-(2,4,4-trimethylpentan-2-yl)pyrazole (CID 123161936) is 1-(2,4,4-trimethylpentan-2-yl)pyrazole.
What is the SMILES notation for 1-(2,4,4-trimethylpentan-2-yl)pyrazole?
The canonical SMILES for 1-(2,4,4-trimethylpentan-2-yl)pyrazole is CC(C)(C)CC(C)(C)n1cccn1.
What is the InChIKey of 1-(2,4,4-trimethylpentan-2-yl)pyrazole?
The InChIKey is AJYDEQZBSFZYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2,3)9-11(4,5)13-8-6-7-12-13/h6-8H,9H2,1-5H3.
What are the key properties of 1-(2,4,4-trimethylpentan-2-yl)pyrazole?
1-(2,4,4-trimethylpentan-2-yl)pyrazole has a molecular weight of 180.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4-trimethylpentan-2-yl)pyrazole is sourced from PubChem (CID 123161936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).