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

C10H18N2 — CID 130280385

IUPAC4-(2-methylhexan-2-yl)-1H-pyrazole
SMILESCCCCC(C)(C)c1cn[nH]c1
InChIInChI=1S/C10H18N2/c1-4-5-6-10(2,3)9-7-11-12-8-9/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyZSNZRNZEWFZDOZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.88
Rot. Bonds4

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

4-(2-methylhexan-2-yl)-1H-pyrazole (PubChem CID 130280385) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-(2-methylhexan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-methylhexan-2-yl)-1H-pyrazole
PubChem CID130280385
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-(2-methylhexan-2-yl)-1H-pyrazole
SMILESCCCCC(C)(C)c1cn[nH]c1
InChIInChI=1S/C10H18N2/c1-4-5-6-10(2,3)9-7-11-12-8-9/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyZSNZRNZEWFZDOZ-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253
4-(5-methylundecan-5-yl)-1H-pyrazole
CID 139543634
4-(3-methyl-1-methylsulfanylheptan-3-yl)-1H-pyrazole
CID 123629370
4-tert-butyl-1H-pyrazole;ethane
CID 142062876
3-methoxy-5-(2-methylhexan-2-yl)pyridine
CID 130238683
2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine
CID 83826472
3-(2-methyloctan-2-yl)pyridine
CID 126558457
4-tridecoxy-1H-pyrazole
CID 21398091
8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine
CID 137472081
2-(2-methylhexan-2-yl)-1H-imidazole
CID 68747349
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
5-(2-methylhexan-2-yl)-2H-tetrazole
CID 166949125

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylhexan-2-yl)-1H-pyrazole?
The IUPAC name of 4-(2-methylhexan-2-yl)-1H-pyrazole (CID 130280385) is 4-(2-methylhexan-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-(2-methylhexan-2-yl)-1H-pyrazole?
The canonical SMILES for 4-(2-methylhexan-2-yl)-1H-pyrazole is CCCCC(C)(C)c1cn[nH]c1.
What is the InChIKey of 4-(2-methylhexan-2-yl)-1H-pyrazole?
The InChIKey is ZSNZRNZEWFZDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-6-10(2,3)9-7-11-12-8-9/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 4-(2-methylhexan-2-yl)-1H-pyrazole?
4-(2-methylhexan-2-yl)-1H-pyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylhexan-2-yl)-1H-pyrazole is sourced from PubChem (CID 130280385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).