3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid

C14H14N2O2 — CID 175570447

IUPAC3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid
SMILESCc1c2c(nn1C(=O)O)C(c1ccccc1)CC2
InChIInChI=1S/C14H14N2O2/c1-9-11-7-8-12(10-5-3-2-4-6-10)13(11)15-16(9)14(17)18/h2-6,12H,7-8H2,1H3,(H,17,18)
InChIKeyRDOMXWVTUPCESI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.80
Rot. Bonds1

About 3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid

3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid (PubChem CID 175570447) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid
PubChem CID175570447
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid
SMILESCc1c2c(nn1C(=O)O)C(c1ccccc1)CC2
InChIInChI=1S/C14H14N2O2/c1-9-11-7-8-12(10-5-3-2-4-6-10)13(11)15-16(9)14(17)18/h2-6,12H,7-8H2,1H3,(H,17,18)
InChIKeyRDOMXWVTUPCESI-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid?
The IUPAC name of 3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid (CID 175570447) is 3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid?
The canonical SMILES for 3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid is Cc1c2c(nn1C(=O)O)C(c1ccccc1)CC2.
What is the InChIKey of 3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid?
The InChIKey is RDOMXWVTUPCESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-11-7-8-12(10-5-3-2-4-6-10)13(11)15-16(9)14(17)18/h2-6,12H,7-8H2,1H3,(H,17,18).
What are the key properties of 3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid?
3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxylic acid is sourced from PubChem (CID 175570447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).