2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid

C9H12N2O2 — CID 83861582

IUPAC2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
SMILESCn1ncc2c1CCC2CC(=O)O
InChIInChI=1S/C9H12N2O2/c1-11-8-3-2-6(4-9(12)13)7(8)5-10-11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyIRUFYMSBZVICGH-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.92
Rot. Bonds2

About 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid

2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid (PubChem CID 83861582) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
PubChem CID83861582
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
SMILESCn1ncc2c1CCC2CC(=O)O
InChIInChI=1S/C9H12N2O2/c1-11-8-3-2-6(4-9(12)13)7(8)5-10-11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyIRUFYMSBZVICGH-UHFFFAOYSA-N
XLogP0.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.92
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-5-carboxylic acid
CID 83414588
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
3-(1,5-dimethyl-1H-pyrazol-4-yl)-2,2-dimethylpropanoic acid
CID 165833803
3-(1,3-dimethyl-1H-pyrazol-4-yl)-2,2-dimethylpropanoic acid
CID 165833808
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 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid (CID 83861582) is 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid is Cn1ncc2c1CCC2CC(=O)O.
What is the InChIKey of 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid?
The InChIKey is IRUFYMSBZVICGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-8-3-2-6(4-9(12)13)7(8)5-10-11/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid?
2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83861582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).