5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole

C13H22N2 — CID 143903749

IUPAC5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole
SMILESC/C=C\C(=C/CC)CCN1CCC(C)=N1
InChIInChI=1S/C13H22N2/c1-4-6-13(7-5-2)9-11-15-10-8-12(3)14-15/h4,6-7H,5,8-11H2,1-3H3/b6-4-,13-7+
InChIKeyQAKSZOGFIPXUEL-FMEHWCPISA-N
MW206.33 g/mol
LogP3.37
Rot. Bonds5

About 5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole

5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole (PubChem CID 143903749) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole
PubChem CID143903749
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole
SMILESC/C=C\C(=C/CC)CCN1CCC(C)=N1
InChIInChI=1S/C13H22N2/c1-4-6-13(7-5-2)9-11-15-10-8-12(3)14-15/h4,6-7H,5,8-11H2,1-3H3/b6-4-,13-7+
InChIKeyQAKSZOGFIPXUEL-FMEHWCPISA-N
XLogP3.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole?
The IUPAC name of 5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole (CID 143903749) is 5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole.
What is the SMILES notation for 5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole?
The canonical SMILES for 5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole is C/C=C\C(=C/CC)CCN1CCC(C)=N1.
What is the InChIKey of 5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole?
The InChIKey is QAKSZOGFIPXUEL-FMEHWCPISA-N. The full InChI is InChI=1S/C13H22N2/c1-4-6-13(7-5-2)9-11-15-10-8-12(3)14-15/h4,6-7H,5,8-11H2,1-3H3/b6-4-,13-7+.
What are the key properties of 5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole?
5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole has a molecular weight of 206.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole is sourced from PubChem (CID 143903749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).