1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole

C11H14N2 — CID 142857713

IUPAC1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole
SMILESCCn1ncc2c1=CCC=C(C)C=2
InChIInChI=1S/C11H14N2/c1-3-13-11-6-4-5-9(2)7-10(11)8-12-13/h5-8H,3-4H2,1-2H3
InChIKeyVLIHPVALAHPAMK-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.81
Rot. Bonds1

About 1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole

1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole (PubChem CID 142857713) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole.

Molecular Properties

Compound Name1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole
PubChem CID142857713
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole
SMILESCCn1ncc2c1=CCC=C(C)C=2
InChIInChI=1S/C11H14N2/c1-3-13-11-6-4-5-9(2)7-10(11)8-12-13/h5-8H,3-4H2,1-2H3
InChIKeyVLIHPVALAHPAMK-UHFFFAOYSA-N
XLogP0.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659831
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(6S)-1,6-dimethyl-5,6-dihydroindazole
CID 89510252
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CID 123158636
1-Ethyl-5-methylidene-4-propan-2-ylidenepyrazole
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N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine
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1-Methyl-5-methylidene-4-propan-2-ylidenepyrazole
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(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
CID 129157344

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole?
The IUPAC name of 1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole (CID 142857713) is 1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole.
What is the SMILES notation for 1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole?
The canonical SMILES for 1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole is CCn1ncc2c1=CCC=C(C)C=2.
What is the InChIKey of 1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole?
The InChIKey is VLIHPVALAHPAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-13-11-6-4-5-9(2)7-10(11)8-12-13/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole?
1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole has a molecular weight of 174.25 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-5-methyl-7H-cyclohepta[c]pyrazole is sourced from PubChem (CID 142857713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).