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

C10H14N2O2 — CID 83861433

IUPAC1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCC(C)n1ncc2c1CCC2C(=O)O
InChIInChI=1S/C10H14N2O2/c1-6(2)12-9-4-3-7(10(13)14)8(9)5-11-12/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyZQUDMCVFTHRVDF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.58
Rot. Bonds2

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

1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 83861433) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID83861433
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCC(C)n1ncc2c1CCC2C(=O)O
InChIInChI=1S/C10H14N2O2/c1-6(2)12-9-4-3-7(10(13)14)8(9)5-11-12/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyZQUDMCVFTHRVDF-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.58
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
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 124745805
ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate
CID 167468218
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
3-(3-Ethyl-1-methylpyrazol-4-yl)-2-fluoropropanoic acid
CID 112669937
3-(3-Ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutanoic acid
CID 112671150
2-(1,3-Dipentylpyrazol-4-yl)acetic acid
CID 67746271
2-(1,4-Dipentylpyrazol-3-yl)acetic acid
CID 67830478
2-[5-(Carboxymethyl)-1-propan-2-ylpyrazol-4-yl]acetic acid
CID 69015863
2-[5-(Carboxymethyl)-1-methylpyrazol-4-yl]acetic acid
CID 69016816

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid (CID 83861433) is 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid is CC(C)n1ncc2c1CCC2C(=O)O.
What is the InChIKey of 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is ZQUDMCVFTHRVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)12-9-4-3-7(10(13)14)8(9)5-11-12/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid?
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83861433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).