1-methyl-4-[(E)-pent-1-enyl]pyrazole

C9H14N2 — CID 125476247

IUPAC1-methyl-4-[(E)-pent-1-enyl]pyrazole
SMILESCCC/C=C/c1cnn(C)c1
InChIInChI=1S/C9H14N2/c1-3-4-5-6-9-7-10-11(2)8-9/h5-8H,3-4H2,1-2H3/b6-5+
InChIKeySOLCLOBMXQKPJZ-AATRIKPKSA-N
MW150.22 g/mol
LogP2.23
Rot. Bonds3

About 1-methyl-4-[(E)-pent-1-enyl]pyrazole

1-methyl-4-[(E)-pent-1-enyl]pyrazole (PubChem CID 125476247) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-methyl-4-[(E)-pent-1-enyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[(E)-pent-1-enyl]pyrazole
PubChem CID125476247
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-methyl-4-[(E)-pent-1-enyl]pyrazole
SMILESCCC/C=C/c1cnn(C)c1
InChIInChI=1S/C9H14N2/c1-3-4-5-6-9-7-10-11(2)8-9/h5-8H,3-4H2,1-2H3/b6-5+
InChIKeySOLCLOBMXQKPJZ-AATRIKPKSA-N
XLogP2.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21825964
1-tert-butyl-4-ethenyl-1H-pyrazole
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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
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4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
4-(4-Fluorobuta-1,3-dien-2-yl)-1-methylpyrazole
CID 123913279
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
3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole
CID 144581414
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CID 145090712

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-pent-1-enyl]pyrazole?
The IUPAC name of 1-methyl-4-[(E)-pent-1-enyl]pyrazole (CID 125476247) is 1-methyl-4-[(E)-pent-1-enyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[(E)-pent-1-enyl]pyrazole?
The canonical SMILES for 1-methyl-4-[(E)-pent-1-enyl]pyrazole is CCC/C=C/c1cnn(C)c1.
What is the InChIKey of 1-methyl-4-[(E)-pent-1-enyl]pyrazole?
The InChIKey is SOLCLOBMXQKPJZ-AATRIKPKSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-5-6-9-7-10-11(2)8-9/h5-8H,3-4H2,1-2H3/b6-5+.
What are the key properties of 1-methyl-4-[(E)-pent-1-enyl]pyrazole?
1-methyl-4-[(E)-pent-1-enyl]pyrazole has a molecular weight of 150.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-pent-1-enyl]pyrazole is sourced from PubChem (CID 125476247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).