ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole

C13H24N2 — CID 142516504

IUPACethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole
SMILESC=Cc1n[nH]c(C)c1/C=C\C.CC.CC
InChIInChI=1S/C9H12N2.2C2H6/c1-4-6-8-7(3)10-11-9(8)5-2;2*1-2/h4-6H,2H2,1,3H3,(H,10,11);2*1-2H3/b6-4-;;
InChIKeyNOXWSTHIWFEABW-XFUGJFOESA-N
MW208.35 g/mol
LogP4.45
Rot. Bonds2

About ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole

ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole (PubChem CID 142516504) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole.

Molecular Properties

Compound Nameethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole
PubChem CID142516504
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole
SMILESC=Cc1n[nH]c(C)c1/C=C\C.CC.CC
InChIInChI=1S/C9H12N2.2C2H6/c1-4-6-8-7(3)10-11-9(8)5-2;2*1-2/h4-6H,2H2,1,3H3,(H,10,11);2*1-2H3/b6-4-;;
InChIKeyNOXWSTHIWFEABW-XFUGJFOESA-N
XLogP4.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-Trimethylpyrazole
CID 138528
3,5-Dimethyl-4-ethylpyrazole
CID 572877
4-ethenyl-3,5-dimethyl-1H-pyrazole
CID 22152548
4-(1,3,5-Cycloheptatrien-7-yl)-3,5-dimethylpyrazole
CID 604144
4-ethenyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 89351142
4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole
CID 123537109
4-[(1E)-2-chlorobuta-1,3-dienyl]-3-(fluoromethyl)-5-methyl-1H-pyrazole
CID 130340739
(4Z,6E)-6-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]octa-4,6-dienenitrile
CID 143066739
4-ethenyl-3-(1-fluoroethenyl)-5-methyl-1H-pyrazole
CID 145680413
3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole
CID 156543390
3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole
CID 156829189
[5-ethenyl-3-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazol-1-yl] thiohypofluorite
CID 166718799

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole?
The IUPAC name of ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole (CID 142516504) is ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole.
What is the SMILES notation for ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole?
The canonical SMILES for ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole is C=Cc1n[nH]c(C)c1/C=C\C.CC.CC.
What is the InChIKey of ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole?
The InChIKey is NOXWSTHIWFEABW-XFUGJFOESA-N. The full InChI is InChI=1S/C9H12N2.2C2H6/c1-4-6-8-7(3)10-11-9(8)5-2;2*1-2/h4-6H,2H2,1,3H3,(H,10,11);2*1-2H3/b6-4-;;.
What are the key properties of ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole?
ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole has a molecular weight of 208.35 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazole is sourced from PubChem (CID 142516504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).