4-[(E)-4-methylpent-1-enyl]-1H-pyrazole

C9H14N2 — CID 118203094

IUPAC4-[(E)-4-methylpent-1-enyl]-1H-pyrazole
SMILESCC(C)C/C=C/c1cn[nH]c1
InChIInChI=1S/C9H14N2/c1-8(2)4-3-5-9-6-10-11-7-9/h3,5-8H,4H2,1-2H3,(H,10,11)/b5-3+
InChIKeyHHBASWUFZMPZQF-HWKANZROSA-N
MW150.22 g/mol
LogP2.47
Rot. Bonds3

About 4-[(E)-4-methylpent-1-enyl]-1H-pyrazole

4-[(E)-4-methylpent-1-enyl]-1H-pyrazole (PubChem CID 118203094) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-[(E)-4-methylpent-1-enyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(E)-4-methylpent-1-enyl]-1H-pyrazole
PubChem CID118203094
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-[(E)-4-methylpent-1-enyl]-1H-pyrazole
SMILESCC(C)C/C=C/c1cn[nH]c1
InChIInChI=1S/C9H14N2/c1-8(2)4-3-5-9-6-10-11-7-9/h3,5-8H,4H2,1-2H3,(H,10,11)/b5-3+
InChIKeyHHBASWUFZMPZQF-HWKANZROSA-N
XLogP2.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-methylpent-1-enyl]-1H-pyrazole?
The IUPAC name of 4-[(E)-4-methylpent-1-enyl]-1H-pyrazole (CID 118203094) is 4-[(E)-4-methylpent-1-enyl]-1H-pyrazole.
What is the SMILES notation for 4-[(E)-4-methylpent-1-enyl]-1H-pyrazole?
The canonical SMILES for 4-[(E)-4-methylpent-1-enyl]-1H-pyrazole is CC(C)C/C=C/c1cn[nH]c1.
What is the InChIKey of 4-[(E)-4-methylpent-1-enyl]-1H-pyrazole?
The InChIKey is HHBASWUFZMPZQF-HWKANZROSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(2)4-3-5-9-6-10-11-7-9/h3,5-8H,4H2,1-2H3,(H,10,11)/b5-3+.
What are the key properties of 4-[(E)-4-methylpent-1-enyl]-1H-pyrazole?
4-[(E)-4-methylpent-1-enyl]-1H-pyrazole has a molecular weight of 150.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-methylpent-1-enyl]-1H-pyrazole is sourced from PubChem (CID 118203094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).