3,5-dimethyl-4-prop-2-enyl-1H-pyrazole

C8H12N2 — CID 585885

IUPAC3,5-dimethyl-4-prop-2-enyl-1H-pyrazole
SMILESC=CCc1c(C)n[nH]c1C
InChIInChI=1S/C8H12N2/c1-4-5-8-6(2)9-10-7(8)3/h4H,1,5H2,2-3H3,(H,9,10)
InChIKeyQWUSIYGDHJDCEM-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.76
Rot. Bonds2

About 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole

3,5-dimethyl-4-prop-2-enyl-1H-pyrazole (PubChem CID 585885) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-prop-2-enyl-1H-pyrazole
PubChem CID585885
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3,5-dimethyl-4-prop-2-enyl-1H-pyrazole
SMILESC=CCc1c(C)n[nH]c1C
InChIInChI=1S/C8H12N2/c1-4-5-8-6(2)9-10-7(8)3/h4H,1,5H2,2-3H3,(H,9,10)
InChIKeyQWUSIYGDHJDCEM-UHFFFAOYSA-N
XLogP1.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethylpyrazole
CID 6210
3,4,5-Trimethylpyrazole
CID 138528
4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole
CID 572879
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 650797
3,5-Dimethyl-4-ethylpyrazole
CID 572877
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CID 572718
3,5-Diethyl-4-methylpyrazole
CID 139517
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride
CID 17368230
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 6603655
4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole
CID 911572
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 3136377
4-ethenyl-3,5-dimethyl-1H-pyrazole
CID 22152548

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole (CID 585885) is 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole is C=CCc1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole?
The InChIKey is QWUSIYGDHJDCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-5-8-6(2)9-10-7(8)3/h4H,1,5H2,2-3H3,(H,9,10).
What are the key properties of 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole?
3,5-dimethyl-4-prop-2-enyl-1H-pyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole is sourced from PubChem (CID 585885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).