1,3,5-trimethyl-4-prop-2-enylpyrazole

C9H14N2 — CID 579724

IUPAC1,3,5-trimethyl-4-prop-2-enylpyrazole
SMILESC=CCc1c(C)nn(C)c1C
InChIInChI=1S/C9H14N2/c1-5-6-9-7(2)10-11(4)8(9)3/h5H,1,6H2,2-4H3
InChIKeyYLBGZANVFWEKRE-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.77
Rot. Bonds2

About 1,3,5-trimethyl-4-prop-2-enylpyrazole

1,3,5-trimethyl-4-prop-2-enylpyrazole (PubChem CID 579724) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-prop-2-enylpyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-prop-2-enylpyrazole
PubChem CID579724
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,3,5-trimethyl-4-prop-2-enylpyrazole
SMILESC=CCc1c(C)nn(C)c1C
InChIInChI=1S/C9H14N2/c1-5-6-9-7(2)10-11(4)8(9)3/h5H,1,6H2,2-4H3
InChIKeyYLBGZANVFWEKRE-UHFFFAOYSA-N
XLogP1.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.77
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-Allyl-3,5-dimethylpyrazole
CID 25930
1,3,5-Trimethylpyrazole
CID 14081
4-ethynyl-1,3,5-trimethyl-1H-pyrazole
CID 12299300
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9559822
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
Sbb010340
CID 6492580
2-(trimethyl-1H-pyrazol-4-yl)acetonitrile
CID 13792877
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
3,5-Dimethyl-1-vinylpyrazole
CID 578873

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-prop-2-enylpyrazole?
The IUPAC name of 1,3,5-trimethyl-4-prop-2-enylpyrazole (CID 579724) is 1,3,5-trimethyl-4-prop-2-enylpyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-prop-2-enylpyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-prop-2-enylpyrazole is C=CCc1c(C)nn(C)c1C.
What is the InChIKey of 1,3,5-trimethyl-4-prop-2-enylpyrazole?
The InChIKey is YLBGZANVFWEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-6-9-7(2)10-11(4)8(9)3/h5H,1,6H2,2-4H3.
What are the key properties of 1,3,5-trimethyl-4-prop-2-enylpyrazole?
1,3,5-trimethyl-4-prop-2-enylpyrazole has a molecular weight of 150.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-prop-2-enylpyrazole is sourced from PubChem (CID 579724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).