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

C11H14N2 — CID 144603221

IUPAC7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole
SMILESCCC1(C)C=CC=c2cn[nH]c2=C1
InChIInChI=1S/C11H14N2/c1-3-11(2)6-4-5-9-8-12-13-10(9)7-11/h4-8,13H,3H2,1-2H3
InChIKeyCXQSHASUHLAPSK-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.96
Rot. Bonds1

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

7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole (PubChem CID 144603221) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole.

Molecular Properties

Compound Name7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole
PubChem CID144603221
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole
SMILESCCC1(C)C=CC=c2cn[nH]c2=C1
InChIInChI=1S/C11H14N2/c1-3-11(2)6-4-5-9-8-12-13-10(9)7-11/h4-8,13H,3H2,1-2H3
InChIKeyCXQSHASUHLAPSK-UHFFFAOYSA-N
XLogP0.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-1H-cyclohepta[c]pyrazol-7-amine
CID 123946475
7-methyl-1H-cyclohepta[c]pyrazole-7-thiol
CID 144790115
5-ethyl-5-methyl-1H-cyclohepta[d]imidazole
CID 166077226
5-ethyl-5-methylcyclohepta[d][1,3]dioxole
CID 142164339
(6R)-6-methyl-6-nitro-1,5-dihydroindazole
CID 173381827
6-ethyl-6-methylazepine-2-carbaldehyde
CID 175623753
5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 163604999
6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole
CID 143608597
3-ethyl-3-methylcyclopenta-1,4-dien-1-ol
CID 163478961
6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole
CID 155468939
4-ethyl-2,4-dimethylpyran
CID 123819702
4-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2H-triazole
CID 67783756

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole?
The IUPAC name of 7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole (CID 144603221) is 7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole.
What is the SMILES notation for 7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole?
The canonical SMILES for 7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole is CCC1(C)C=CC=c2cn[nH]c2=C1.
What is the InChIKey of 7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole?
The InChIKey is CXQSHASUHLAPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-11(2)6-4-5-9-8-12-13-10(9)7-11/h4-8,13H,3H2,1-2H3.
What are the key properties of 7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole?
7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole has a molecular weight of 174.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole is sourced from PubChem (CID 144603221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).