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

C10H14N2O2 — CID 112715283

IUPAC2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
SMILESCC1Cc2c(cnn2C)C1CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-3-9-8(5-11-12(9)2)7(6)4-10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyPWHBGEZGBJTYCN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.17
Rot. Bonds2

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

2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid (PubChem CID 112715283) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
PubChem CID112715283
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
SMILESCC1Cc2c(cnn2C)C1CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-3-9-8(5-11-12(9)2)7(6)4-10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyPWHBGEZGBJTYCN-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid (CID 112715283) is 2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid is CC1Cc2c(cnn2C)C1CC(=O)O.
What is the InChIKey of 2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid?
The InChIKey is PWHBGEZGBJTYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-3-9-8(5-11-12(9)2)7(6)4-10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid?
2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 112715283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).