3,5-dimethyl-1-prop-2-enylpyrazole

C8H12N2 — CID 25930

IUPAC3,5-dimethyl-1-prop-2-enylpyrazole
SMILESC=CCn1nc(C)cc1C
InChIInChI=1S/C8H12N2/c1-4-5-10-8(3)6-7(2)9-10/h4,6H,1,5H2,2-3H3
InChIKeyNXAGTQRRYZTDKV-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.69
Rot. Bonds2

About 3,5-dimethyl-1-prop-2-enylpyrazole

3,5-dimethyl-1-prop-2-enylpyrazole (PubChem CID 25930) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3,5-dimethyl-1-prop-2-enylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-prop-2-enylpyrazole
PubChem CID25930
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3,5-dimethyl-1-prop-2-enylpyrazole
SMILESC=CCn1nc(C)cc1C
InChIInChI=1S/C8H12N2/c1-4-5-10-8(3)6-7(2)9-10/h4,6H,1,5H2,2-3H3
InChIKeyNXAGTQRRYZTDKV-UHFFFAOYSA-N
XLogP1.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4-(3,5-dimethylpyrazol-1-yl)but-2-enyl]-3,5-dimethylpyrazole
CID 2055740
1-ethyl-3,5-dimethylpyrazole
CID 565993
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473
1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole
CID 130964709
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-4-en-1-amine
CID 114536472
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
ethyl 6-methyl-3-oxo-2-prop-2-enylpyridazine-4-carboxylate
CID 100752742
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide
CID 71782924
1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole
CID 106440153
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine
CID 46990128

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-prop-2-enylpyrazole?
The IUPAC name of 3,5-dimethyl-1-prop-2-enylpyrazole (CID 25930) is 3,5-dimethyl-1-prop-2-enylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-prop-2-enylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-prop-2-enylpyrazole is C=CCn1nc(C)cc1C.
What is the InChIKey of 3,5-dimethyl-1-prop-2-enylpyrazole?
The InChIKey is NXAGTQRRYZTDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-5-10-8(3)6-7(2)9-10/h4,6H,1,5H2,2-3H3.
What are the key properties of 3,5-dimethyl-1-prop-2-enylpyrazole?
3,5-dimethyl-1-prop-2-enylpyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-prop-2-enylpyrazole is sourced from PubChem (CID 25930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).