1-methyl-4-prop-1-enylpyrazole

C7H10N2 — CID 77437449

IUPAC1-methyl-4-prop-1-enylpyrazole
SMILESCC=Cc1cnn(C)c1
InChIInChI=1S/C7H10N2/c1-3-4-7-5-8-9(2)6-7/h3-6H,1-2H3
InChIKeyUHKQSXSIENPOQL-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.45
Rot. Bonds1

About 1-methyl-4-prop-1-enylpyrazole

1-methyl-4-prop-1-enylpyrazole (PubChem CID 77437449) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-methyl-4-prop-1-enylpyrazole.

Molecular Properties

Compound Name1-methyl-4-prop-1-enylpyrazole
PubChem CID77437449
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-methyl-4-prop-1-enylpyrazole
SMILESCC=Cc1cnn(C)c1
InChIInChI=1S/C7H10N2/c1-3-4-7-5-8-9(2)6-7/h3-6H,1-2H3
InChIKeyUHKQSXSIENPOQL-UHFFFAOYSA-N
XLogP1.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-1-methyl-1H-pyrazole
CID 21825964
1-tert-butyl-4-ethenyl-1H-pyrazole
CID 14510323
4-((1E)-3-chloroprop-1-en-1-yl)-1-methyl-1H-pyrazole
CID 121514065
(1E,3E)-4-fluoro-2-(1-methylpyrazol-4-yl)penta-1,3-dien-1-amine
CID 118951926
4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-1-methylpyrazole
CID 118951977
4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
7-Ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
CID 126763540
1-(2,2-difluoroethyl)-4-[(E)-prop-1-enyl]pyrazole
CID 132036005
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-1-propan-2-ylpyrazole
CID 135175779
Ethane;4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole
CID 153359423
3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 155335254
5-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 155335261

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-1-enylpyrazole?
The IUPAC name of 1-methyl-4-prop-1-enylpyrazole (CID 77437449) is 1-methyl-4-prop-1-enylpyrazole.
What is the SMILES notation for 1-methyl-4-prop-1-enylpyrazole?
The canonical SMILES for 1-methyl-4-prop-1-enylpyrazole is CC=Cc1cnn(C)c1.
What is the InChIKey of 1-methyl-4-prop-1-enylpyrazole?
The InChIKey is UHKQSXSIENPOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-4-7-5-8-9(2)6-7/h3-6H,1-2H3.
What are the key properties of 1-methyl-4-prop-1-enylpyrazole?
1-methyl-4-prop-1-enylpyrazole has a molecular weight of 122.17 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-1-enylpyrazole is sourced from PubChem (CID 77437449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).