1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole

C10H16N2 — CID 123701307

IUPAC1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole
SMILESC=c1c(=C(C)C)c(C)nn1CC
InChIInChI=1S/C10H16N2/c1-6-12-9(5)10(7(2)3)8(4)11-12/h5-6H2,1-4H3
InChIKeyBUPAEOWMUNRKOM-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.81
Rot. Bonds1

About 1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole

1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole (PubChem CID 123701307) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole
PubChem CID123701307
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole
SMILESC=c1c(=C(C)C)c(C)nn1CC
InChIInChI=1S/C10H16N2/c1-6-12-9(5)10(7(2)3)8(4)11-12/h5-6H2,1-4H3
InChIKeyBUPAEOWMUNRKOM-UHFFFAOYSA-N
XLogP0.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,5-Tetramethyl-6-methylidenepyridazine
CID 18717193
1,3-Dimethyl-5-methylidene-4-propan-2-ylidenepyrazole
CID 123160512
4-Ethyl-1,3-dimethyl-5,6-dihydroindazole
CID 130451716
(4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342687
(4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole
CID 134444254
N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine
CID 143175953
5-methyl-2-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-3,4-dihydropyrazole
CID 143903749
(4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole
CID 144599888
Ethane;1-ethyl-3-methyl-5,6-dihydroindazole
CID 144717222
(4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane
CID 145152735
1,3,5-Trimethyl-5,6-dihydroindazole
CID 146477699
4,5,6,7-Tetramethyl-1,3-dipropyldiazepine
CID 151900831

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole?
The IUPAC name of 1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole (CID 123701307) is 1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole.
What is the SMILES notation for 1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole?
The canonical SMILES for 1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole is C=c1c(=C(C)C)c(C)nn1CC.
What is the InChIKey of 1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole?
The InChIKey is BUPAEOWMUNRKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-12-9(5)10(7(2)3)8(4)11-12/h5-6H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole?
1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole has a molecular weight of 164.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-methylidene-4-propan-2-ylidenepyrazole is sourced from PubChem (CID 123701307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).