ethene;4-methyl-1-(2-methylbutyl)pyrazole

C11H20N2 — CID 143972453

IUPACethene;4-methyl-1-(2-methylbutyl)pyrazole
SMILESC=C.CCC(C)Cn1cc(C)cn1
InChIInChI=1S/C9H16N2.C2H4/c1-4-8(2)6-11-7-9(3)5-10-11;1-2/h5,7-8H,4,6H2,1-3H3;1-2H2
InChIKeyQHJXJEJMDYZBCT-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.04
Rot. Bonds3

About ethene;4-methyl-1-(2-methylbutyl)pyrazole

ethene;4-methyl-1-(2-methylbutyl)pyrazole (PubChem CID 143972453) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethene;4-methyl-1-(2-methylbutyl)pyrazole.

Molecular Properties

Compound Nameethene;4-methyl-1-(2-methylbutyl)pyrazole
PubChem CID143972453
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethene;4-methyl-1-(2-methylbutyl)pyrazole
SMILESC=C.CCC(C)Cn1cc(C)cn1
InChIInChI=1S/C9H16N2.C2H4/c1-4-8(2)6-11-7-9(3)5-10-11;1-2/h5,7-8H,4,6H2,1-3H3;1-2H2
InChIKeyQHJXJEJMDYZBCT-UHFFFAOYSA-N
XLogP3.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylpentyl)-4-methylpyrazole
CID 171540355
N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine
CID 62040383
1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
CID 169136137
1-[1-(2-methylbutyl)pyrazol-4-yl]propan-2-amine
CID 62731335
N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 62730479
(2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide
CID 95299786
(2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
CID 42574253
(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 118260384
(4-methylpyrazol-1-yl)methanol
CID 7172181
2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
CID 60873678
ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 145015043
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine
CID 115715289

Frequently Asked Questions

What is the IUPAC name of ethene;4-methyl-1-(2-methylbutyl)pyrazole?
The IUPAC name of ethene;4-methyl-1-(2-methylbutyl)pyrazole (CID 143972453) is ethene;4-methyl-1-(2-methylbutyl)pyrazole.
What is the SMILES notation for ethene;4-methyl-1-(2-methylbutyl)pyrazole?
The canonical SMILES for ethene;4-methyl-1-(2-methylbutyl)pyrazole is C=C.CCC(C)Cn1cc(C)cn1.
What is the InChIKey of ethene;4-methyl-1-(2-methylbutyl)pyrazole?
The InChIKey is QHJXJEJMDYZBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H4/c1-4-8(2)6-11-7-9(3)5-10-11;1-2/h5,7-8H,4,6H2,1-3H3;1-2H2.
What are the key properties of ethene;4-methyl-1-(2-methylbutyl)pyrazole?
ethene;4-methyl-1-(2-methylbutyl)pyrazole has a molecular weight of 180.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-methyl-1-(2-methylbutyl)pyrazole is sourced from PubChem (CID 143972453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).