1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid

C9H12N2O2 — CID 83861585

IUPAC1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCc1nn(C)c2c1C(C(=O)O)CC2
InChIInChI=1S/C9H12N2O2/c1-5-8-6(9(12)13)3-4-7(8)11(2)10-5/h6H,3-4H2,1-2H3,(H,12,13)
InChIKeyDGTYGIGRQHHJLM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.84
Rot. Bonds1

About 1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid

1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 83861585) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID83861585
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCc1nn(C)c2c1C(C(=O)O)CC2
InChIInChI=1S/C9H12N2O2/c1-5-8-6(9(12)13)3-4-7(8)11(2)10-5/h6H,3-4H2,1-2H3,(H,12,13)
InChIKeyDGTYGIGRQHHJLM-UHFFFAOYSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 3157816
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005992
2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid
CID 50987849
3-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 50987850
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
2-Fluoro-3-(1,3,5-trimethylpyrazol-4-yl)butanoic acid
CID 130840915
2,2-difluoro-3-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 165490617
2-fluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165493434
2,2-difluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165874559
2-[5-(Carboxymethyl)-1,3-dimethylpyrazol-4-yl]acetic acid
CID 69015971
2-(1,4,5-Trimethylpyrazol-3-yl)acetic acid
CID 82413375
2-(5-Cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid
CID 123181406

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid (CID 83861585) is 1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid is Cc1nn(C)c2c1C(C(=O)O)CC2.
What is the InChIKey of 1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is DGTYGIGRQHHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-8-6(9(12)13)3-4-7(8)11(2)10-5/h6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83861585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).