2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid

C10H14N2O2 — CID 3238266

IUPAC2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid
SMILESO=C(O)Cn1cc2c(n1)CCCCC2
InChIInChI=1S/C10H14N2O2/c13-10(14)7-12-6-8-4-2-1-3-5-9(8)11-12/h6H,1-5,7H2,(H,13,14)
InChIKeyJAQGEGJZBQCNKL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.24
Rot. Bonds2

About 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid

2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid (PubChem CID 3238266) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid
PubChem CID3238266
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid
SMILESO=C(O)Cn1cc2c(n1)CCCCC2
InChIInChI=1S/C10H14N2O2/c13-10(14)7-12-6-8-4-2-1-3-5-9(8)11-12/h6H,1-5,7H2,(H,13,14)
InChIKeyJAQGEGJZBQCNKL-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid (CID 3238266) is 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid is O=C(O)Cn1cc2c(n1)CCCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid?
The InChIKey is JAQGEGJZBQCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)7-12-6-8-4-2-1-3-5-9(8)11-12/h6H,1-5,7H2,(H,13,14).
What are the key properties of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid?
2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetic acid is sourced from PubChem (CID 3238266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).