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

C8H10N2O2 — CID 83861578

IUPAC1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCn1ncc2c1CCC2C(=O)O
InChIInChI=1S/C8H10N2O2/c1-10-7-3-2-5(8(11)12)6(7)4-9-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyJQRZIZSZDILTTJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.53
Rot. Bonds1

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

1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 83861578) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID83861578
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCn1ncc2c1CCC2C(=O)O
InChIInChI=1S/C8H10N2O2/c1-10-7-3-2-5(8(11)12)6(7)4-9-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyJQRZIZSZDILTTJ-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 6485397
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 124602659
1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate
CID 167468218
2-[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropane-1-carboxylic acid
CID 168180963
[(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
CID 134973456
3-(1,5-dimethyl-1H-pyrazol-4-yl)-2,2-dimethylpropanoic acid
CID 165833803
1-Butyl-2-(1,4-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 176432823
1-Butyl-2-(1,5-dimethylpyrazol-4-yl)cyclopropane-1-carboxylic acid
CID 176432824
3-(1,5-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutanoic acid
CID 79583676

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid (CID 83861578) is 1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid is Cn1ncc2c1CCC2C(=O)O.
What is the InChIKey of 1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is JQRZIZSZDILTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-7-3-2-5(8(11)12)6(7)4-9-10/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83861578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).