4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole

C10H14N2 — CID 123505084

IUPAC4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole
SMILESC=Cc1c(C=C(C)C)n[nH]c1C
InChIInChI=1S/C10H14N2/c1-5-9-8(4)11-12-10(9)6-7(2)3/h5-6H,1H2,2-4H3,(H,11,12)
InChIKeyIPCQTPVUJPRGOP-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.78
Rot. Bonds2

About 4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole

4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole (PubChem CID 123505084) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole.

Molecular Properties

Compound Name4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole
PubChem CID123505084
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole
SMILESC=Cc1c(C=C(C)C)n[nH]c1C
InChIInChI=1S/C10H14N2/c1-5-9-8(4)11-12-10(9)6-7(2)3/h5-6H,1H2,2-4H3,(H,11,12)
InChIKeyIPCQTPVUJPRGOP-UHFFFAOYSA-N
XLogP2.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 138528
3,5-Dimethyl-4-ethylpyrazole
CID 572877
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CID 22152548
4-ethenyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 89351142
4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole
CID 123537109
N-[[3-[(1Z)-3-fluorobuta-1,3-dienyl]-4-methyl-1H-pyrazol-5-yl]methyl]phosphiran-1-amine
CID 126583463
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 4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole?
The IUPAC name of 4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole (CID 123505084) is 4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole.
What is the SMILES notation for 4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole?
The canonical SMILES for 4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole is C=Cc1c(C=C(C)C)n[nH]c1C.
What is the InChIKey of 4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole?
The InChIKey is IPCQTPVUJPRGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-9-8(4)11-12-10(9)6-7(2)3/h5-6H,1H2,2-4H3,(H,11,12).
What are the key properties of 4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole?
4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole has a molecular weight of 162.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methyl-3-(2-methylprop-1-enyl)-1H-pyrazole is sourced from PubChem (CID 123505084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).