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

C11H16N2O2 — CID 83861599

IUPAC1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCC(C)c1nn(C)c2c1C(C(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-6(2)10-9-7(11(14)15)4-5-8(9)13(3)12-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyKFBZLWNKQFYFJW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.66
Rot. Bonds2

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

1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83861599) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83861599
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCC(C)c1nn(C)c2c1C(C(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-6(2)10-9-7(11(14)15)4-5-8(9)13(3)12-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyKFBZLWNKQFYFJW-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2,2-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-Cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid
CID 123181406
1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid
CID 134168014
2-[(4-Bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 81007751
2-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 81007966
2-[(2,5-Dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008084

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 83861599) is 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid is CC(C)c1nn(C)c2c1C(C(=O)O)CC2.
What is the InChIKey of 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is KFBZLWNKQFYFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6(2)10-9-7(11(14)15)4-5-8(9)13(3)12-10/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83861599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).