3-butyl-3-methylpyrazole

C8H14N2 — CID 173034628

IUPAC3-butyl-3-methylpyrazole
SMILESCCCCC1(C)C=CN=N1
InChIInChI=1S/C8H14N2/c1-3-4-5-8(2)6-7-9-10-8/h6-7H,3-5H2,1-2H3
InChIKeyIKYVCJYTIMXTKM-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.91
Rot. Bonds3

About 3-butyl-3-methylpyrazole

3-butyl-3-methylpyrazole (PubChem CID 173034628) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-butyl-3-methylpyrazole.

Molecular Properties

Compound Name3-butyl-3-methylpyrazole
PubChem CID173034628
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-butyl-3-methylpyrazole
SMILESCCCCC1(C)C=CN=N1
InChIInChI=1S/C8H14N2/c1-3-4-5-8(2)6-7-9-10-8/h6-7H,3-5H2,1-2H3
InChIKeyIKYVCJYTIMXTKM-UHFFFAOYSA-N
XLogP2.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dibutylpyrazole
CID 154963182
3,3-dipentylpyrazole
CID 68635584
6-butyl-1-methyl-2,3,7-triazabicyclo[4.1.1]octa-2,4-diene
CID 134550897
4-butyl-4-methyl-1H-pyrimidine
CID 90806003
5-methyl-5-pentyltetrazole
CID 69382844
5-butyl-5-ethyltetrazole
CID 68800278
3-butyl-3-methylazetidine;ethane
CID 145389820
3-ethyl-3-(2-methylpropyl)pyrazole
CID 142153004
1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane
CID 101173353
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
5-butyl-5-propan-2-yltetrazole
CID 69385429
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-methylpyrazole?
The IUPAC name of 3-butyl-3-methylpyrazole (CID 173034628) is 3-butyl-3-methylpyrazole.
What is the SMILES notation for 3-butyl-3-methylpyrazole?
The canonical SMILES for 3-butyl-3-methylpyrazole is CCCCC1(C)C=CN=N1.
What is the InChIKey of 3-butyl-3-methylpyrazole?
The InChIKey is IKYVCJYTIMXTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-8(2)6-7-9-10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-butyl-3-methylpyrazole?
3-butyl-3-methylpyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-methylpyrazole is sourced from PubChem (CID 173034628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).