3-ethenyl-1,2,5-trimethyl-3H-pyrazole

C8H14N2 — CID 143644506

IUPAC3-ethenyl-1,2,5-trimethyl-3H-pyrazole
SMILESC=CC1C=C(C)N(C)N1C
InChIInChI=1S/C8H14N2/c1-5-8-6-7(2)9(3)10(8)4/h5-6,8H,1H2,2-4H3
InChIKeyVWOPZPPESZXRJX-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.24
Rot. Bonds1

About 3-ethenyl-1,2,5-trimethyl-3H-pyrazole

3-ethenyl-1,2,5-trimethyl-3H-pyrazole (PubChem CID 143644506) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-ethenyl-1,2,5-trimethyl-3H-pyrazole.

Molecular Properties

Compound Name3-ethenyl-1,2,5-trimethyl-3H-pyrazole
PubChem CID143644506
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-ethenyl-1,2,5-trimethyl-3H-pyrazole
SMILESC=CC1C=C(C)N(C)N1C
InChIInChI=1S/C8H14N2/c1-5-8-6-7(2)9(3)10(8)4/h5-6,8H,1H2,2-4H3
InChIKeyVWOPZPPESZXRJX-UHFFFAOYSA-N
XLogP1.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.24
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

1,2,3,5-tetramethyl-3H-pyrazole
CID 21766394
1,2,5-tris(prop-2-enyl)-3H-pyrazole
CID 67289211
1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole
CID 68589608
1-But-1-enyl-2,3,4,5-tetramethyltriazole
CID 68589611
1-butyl-2,3,5-trimethyl-3H-pyrazole
CID 86249096
1-ethyl-2,3,5-trimethyl-3H-pyrazole
CID 86249110
1,3,5-trimethyl-2-propyl-3H-pyrazole
CID 86249112
2-butyl-1,3,5-trimethyl-3H-pyrazole
CID 89400345
2-ethyl-1,3,5-trimethyl-3H-pyrazole
CID 89400366
3-Methyl-3a,6-dihydrobenzotriazole
CID 91334646
N,N-dimethyl-6-methylidene-2,5-dihydropyridin-1-amine
CID 91424405
(5E)-4-[(E)-but-1-enyl]-3-methyl-5-(2-methylpropylidene)-4H-triazole
CID 91467666

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,2,5-trimethyl-3H-pyrazole?
The IUPAC name of 3-ethenyl-1,2,5-trimethyl-3H-pyrazole (CID 143644506) is 3-ethenyl-1,2,5-trimethyl-3H-pyrazole.
What is the SMILES notation for 3-ethenyl-1,2,5-trimethyl-3H-pyrazole?
The canonical SMILES for 3-ethenyl-1,2,5-trimethyl-3H-pyrazole is C=CC1C=C(C)N(C)N1C.
What is the InChIKey of 3-ethenyl-1,2,5-trimethyl-3H-pyrazole?
The InChIKey is VWOPZPPESZXRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8-6-7(2)9(3)10(8)4/h5-6,8H,1H2,2-4H3.
What are the key properties of 3-ethenyl-1,2,5-trimethyl-3H-pyrazole?
3-ethenyl-1,2,5-trimethyl-3H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2,5-trimethyl-3H-pyrazole is sourced from PubChem (CID 143644506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).