3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid

C11H16N2O2 — CID 83861440

IUPAC3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCc1nn(C(C)C)c2c1C(C(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-6(2)13-9-5-4-8(11(14)15)10(9)7(3)12-13/h6,8H,4-5H2,1-3H3,(H,14,15)
InChIKeyHUSCKMNBJZFPRY-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.89
Rot. Bonds2

About 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid

3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 83861440) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID83861440
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCc1nn(C(C)C)c2c1C(C(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-6(2)13-9-5-4-8(11(14)15)10(9)7(3)12-13/h6,8H,4-5H2,1-3H3,(H,14,15)
InChIKeyHUSCKMNBJZFPRY-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 1084875
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
2,2-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
3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 7131174
2-(1,3,5-Triethylpyrazol-4-yl)acetic acid
CID 79219134
1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid
CID 134168014
2-[5-Methyl-1,3-di(propan-2-yl)pyrazol-4-yl]acetic acid
CID 144506279
3-(3,5-Dimethyl-1-propylpyrazol-4-yl)propanoic acid
CID 23005986
3-(1-Isopropyl-3,5-dimethyl-1h-pyrazol-4-yl)propanoic acid
CID 23005988

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid (CID 83861440) is 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid is Cc1nn(C(C)C)c2c1C(C(=O)O)CC2.
What is the InChIKey of 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is HUSCKMNBJZFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6(2)13-9-5-4-8(11(14)15)10(9)7(3)12-13/h6,8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83861440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).