1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole

C10H18N2 — CID 20774327

IUPAC1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CC(C)(C)C)n1
InChIInChI=1S/C10H18N2/c1-8-6-9(2)12(11-8)7-10(3,4)5/h6H,7H2,1-5H3
InChIKeySYTBGGHCGAGFOD-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.55
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole

1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole (PubChem CID 20774327) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
PubChem CID20774327
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CC(C)(C)C)n1
InChIInChI=1S/C10H18N2/c1-8-6-9(2)12(11-8)7-10(3,4)5/h6H,7H2,1-5H3
InChIKeySYTBGGHCGAGFOD-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3,5-dimethylpyrazole
CID 565993
1-[2-(bromomethyl)-2-ethylbutyl]-3,5-dimethylpyrazole
CID 64998721
1-[(E)-4-(3,5-dimethylpyrazol-1-yl)but-2-enyl]-3,5-dimethylpyrazole
CID 2055740
1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine
CID 86240753
3,5-dimethyl-1-prop-2-enylpyrazole
CID 25930
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115518541
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 62449266
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64809852
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708
1-(furan-3-ylmethyl)-3,5-dimethylpyrazole
CID 83183212
3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 66509429

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole (CID 20774327) is 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole is Cc1cc(C)n(CC(C)(C)C)n1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole?
The InChIKey is SYTBGGHCGAGFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-6-9(2)12(11-8)7-10(3,4)5/h6H,7H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole?
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 20774327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).