4-(2-methyloctan-2-yl)-1H-pyrazole

C12H22N2 — CID 155027253

IUPAC4-(2-methyloctan-2-yl)-1H-pyrazole
SMILESCCCCCCC(C)(C)c1cn[nH]c1
InChIInChI=1S/C12H22N2/c1-4-5-6-7-8-12(2,3)11-9-13-14-10-11/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyYMKQNHYVXRIKDB-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.66
Rot. Bonds6

About 4-(2-methyloctan-2-yl)-1H-pyrazole

4-(2-methyloctan-2-yl)-1H-pyrazole (PubChem CID 155027253) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-(2-methyloctan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-methyloctan-2-yl)-1H-pyrazole
PubChem CID155027253
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-(2-methyloctan-2-yl)-1H-pyrazole
SMILESCCCCCCC(C)(C)c1cn[nH]c1
InChIInChI=1S/C12H22N2/c1-4-5-6-7-8-12(2,3)11-9-13-14-10-11/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyYMKQNHYVXRIKDB-UHFFFAOYSA-N
XLogP3.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-methyloctan-2-yl)-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

Related Compounds

4-(2-methylhexan-2-yl)-1H-pyrazole
CID 130280385
4-(5-methylundecan-5-yl)-1H-pyrazole
CID 139543634
4-(3-methyl-1-methylsulfanylheptan-3-yl)-1H-pyrazole
CID 123629370
3-(2-methyloctan-2-yl)pyridine
CID 126558457
4-tridecoxy-1H-pyrazole
CID 21398091
5-(2-methyloctan-2-yl)-1H-imidazole
CID 137457027
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
2-[4-(2-methyloctan-2-yl)phenoxy]ethanol
CID 102437281

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloctan-2-yl)-1H-pyrazole?
The IUPAC name of 4-(2-methyloctan-2-yl)-1H-pyrazole (CID 155027253) is 4-(2-methyloctan-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-(2-methyloctan-2-yl)-1H-pyrazole?
The canonical SMILES for 4-(2-methyloctan-2-yl)-1H-pyrazole is CCCCCCC(C)(C)c1cn[nH]c1.
What is the InChIKey of 4-(2-methyloctan-2-yl)-1H-pyrazole?
The InChIKey is YMKQNHYVXRIKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-5-6-7-8-12(2,3)11-9-13-14-10-11/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-(2-methyloctan-2-yl)-1H-pyrazole?
4-(2-methyloctan-2-yl)-1H-pyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloctan-2-yl)-1H-pyrazole is sourced from PubChem (CID 155027253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).