2,3-dihydro-1H-pyrazole;hexa-1,3-diene

C9H16N2 — CID 174947350

IUPAC2,3-dihydro-1H-pyrazole;hexa-1,3-diene
SMILESC1=CNNC1.C=CC=CCC
InChIInChI=1S/C6H10.C3H6N2/c1-3-5-6-4-2;1-2-4-5-3-1/h3,5-6H,1,4H2,2H3;1-2,4-5H,3H2
InChIKeyTZBJGXZMHHGSGC-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.75
Rot. Bonds2

About 2,3-dihydro-1H-pyrazole;hexa-1,3-diene

2,3-dihydro-1H-pyrazole;hexa-1,3-diene (PubChem CID 174947350) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrazole;hexa-1,3-diene.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrazole;hexa-1,3-diene
PubChem CID174947350
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,3-dihydro-1H-pyrazole;hexa-1,3-diene
SMILESC1=CNNC1.C=CC=CCC
InChIInChI=1S/C6H10.C3H6N2/c1-3-5-6-4-2;1-2-4-5-3-1/h3,5-6H,1,4H2,2H3;1-2,4-5H,3H2
InChIKeyTZBJGXZMHHGSGC-UHFFFAOYSA-N
XLogP1.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 102331083
ethane-1,2-diol;(3E)-hexa-1,3-diene
CID 87937572
deca-1,3,5,7-tetraene
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icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
docosa-1,3,5,7,9,11,13,15,17,19-decaene
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CID 174048351

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrazole;hexa-1,3-diene?
The IUPAC name of 2,3-dihydro-1H-pyrazole;hexa-1,3-diene (CID 174947350) is 2,3-dihydro-1H-pyrazole;hexa-1,3-diene.
What is the SMILES notation for 2,3-dihydro-1H-pyrazole;hexa-1,3-diene?
The canonical SMILES for 2,3-dihydro-1H-pyrazole;hexa-1,3-diene is C1=CNNC1.C=CC=CCC.
What is the InChIKey of 2,3-dihydro-1H-pyrazole;hexa-1,3-diene?
The InChIKey is TZBJGXZMHHGSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C3H6N2/c1-3-5-6-4-2;1-2-4-5-3-1/h3,5-6H,1,4H2,2H3;1-2,4-5H,3H2.
What are the key properties of 2,3-dihydro-1H-pyrazole;hexa-1,3-diene?
2,3-dihydro-1H-pyrazole;hexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrazole;hexa-1,3-diene is sourced from PubChem (CID 174947350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).