ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole

C11H20N2 — CID 142966097

IUPACethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole
SMILESC=C/C(C)=C\C1=C(C)NNC1.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-7(2)5-9-6-10-11-8(9)3;1-2/h4-5,10-11H,1,6H2,2-3H3;1-2H3/b7-5-;
InChIKeyVHKBCGXLDPSGPV-YJOCEBFMSA-N
MW180.29 g/mol
LogP2.53
Rot. Bonds2

About ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole

ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole (PubChem CID 142966097) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Nameethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole
PubChem CID142966097
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole
SMILESC=C/C(C)=C\C1=C(C)NNC1.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-7(2)5-9-6-10-11-8(9)3;1-2/h4-5,10-11H,1,6H2,2-3H3;1-2H3/b7-5-;
InChIKeyVHKBCGXLDPSGPV-YJOCEBFMSA-N
XLogP2.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.53
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

Cycloheptapyrazoline
CID 129766779
1-(2-fluoroethyl)-2-[(Z)-2-methylidenepent-3-enyl]hydrazine
CID 170076809
1-(2-Fluoroethyl)-2-(2-methylidenepent-3-enyl)hydrazine
CID 174096071
3-ethyl-4-methyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole
CID 178136812
ethane;3-ethyl-4-methyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole
CID 178136839
5,7-dimethyl-2,3-dihydro-1H-diazepine
CID 19798212
[(Z,2E)-2-prop-2-enylidenehex-3-enyl]hydrazine
CID 87415364
5-[(1Z)-2-methylbuta-1,3-dienyl]-4-propan-2-yl-2,3-dihydro-1H-pyrazole
CID 88900437
[(2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraenyl]hydrazine
CID 89118333
1-methyl-2-[(4Z,6Z)-3-methylideneocta-4,6-dienyl]hydrazine
CID 89140481
(1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine
CID 89209869
1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-methylhydrazine
CID 89324381

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole?
The IUPAC name of ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole (CID 142966097) is ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole?
The canonical SMILES for ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole is C=C/C(C)=C\C1=C(C)NNC1.CC.
What is the InChIKey of ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole?
The InChIKey is VHKBCGXLDPSGPV-YJOCEBFMSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-7(2)5-9-6-10-11-8(9)3;1-2/h4-5,10-11H,1,6H2,2-3H3;1-2H3/b7-5-;.
What are the key properties of ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole?
ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole has a molecular weight of 180.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 142966097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).