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

C11H14N2 — CID 166814645

IUPAC4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole
SMILESCCC1=c2cnn(C)c2=CC=CC1
InChIInChI=1S/C11H14N2/c1-3-9-6-4-5-7-11-10(9)8-12-13(11)2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyYVXGIZDKBXXZRJ-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.72
Rot. Bonds1

About 4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole

4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole (PubChem CID 166814645) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole.

Molecular Properties

Compound Name4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole
PubChem CID166814645
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole
SMILESCCC1=c2cnn(C)c2=CC=CC1
InChIInChI=1S/C11H14N2/c1-3-9-6-4-5-7-11-10(9)8-12-13(11)2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyYVXGIZDKBXXZRJ-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole?
The IUPAC name of 4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole (CID 166814645) is 4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole.
What is the SMILES notation for 4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole?
The canonical SMILES for 4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole is CCC1=c2cnn(C)c2=CC=CC1.
What is the InChIKey of 4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole?
The InChIKey is YVXGIZDKBXXZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-9-6-4-5-7-11-10(9)8-12-13(11)2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole?
4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole has a molecular weight of 174.25 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-5H-cyclohepta[c]pyrazole is sourced from PubChem (CID 166814645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).