2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid

C9H12N2O2 — CID 83862236

IUPAC2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid
SMILESCn1nc(CC(=O)O)c2c1CCC2
InChIInChI=1S/C9H12N2O2/c1-11-8-4-2-3-6(8)7(10-11)5-9(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyQCHODMNJZWNXMK-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.54
Rot. Bonds2

About 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid

2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid (PubChem CID 83862236) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid
PubChem CID83862236
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid
SMILESCn1nc(CC(=O)O)c2c1CCC2
InChIInChI=1S/C9H12N2O2/c1-11-8-4-2-3-6(8)7(10-11)5-9(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyQCHODMNJZWNXMK-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid (CID 83862236) is 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid is Cn1nc(CC(=O)O)c2c1CCC2.
What is the InChIKey of 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid?
The InChIKey is QCHODMNJZWNXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-8-4-2-3-6(8)7(10-11)5-9(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid?
2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid is sourced from PubChem (CID 83862236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).