5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid

C8H10N2O2 — CID 83905522

IUPAC5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid
SMILESCC1Cc2[nH]ncc2C1C(=O)O
InChIInChI=1S/C8H10N2O2/c1-4-2-6-5(3-9-10-6)7(4)8(11)12/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyUCGQZSGUCKUJQO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.77
Rot. Bonds1

About 5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid

5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 83905522) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID83905522
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid
SMILESCC1Cc2[nH]ncc2C1C(=O)O
InChIInChI=1S/C8H10N2O2/c1-4-2-6-5(3-9-10-6)7(4)8(11)12/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyUCGQZSGUCKUJQO-UHFFFAOYSA-N
XLogP0.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1,4,5,6-tetrahydrocyclopenta[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

2-(4-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)acetic acid
CID 96622066
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861625
2-[5-(carboxymethyl)-1H-pyrazol-4-yl]acetic acid
CID 21315713
3-(3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
3-(5-propyl-1H-pyrazol-4-yl)propanoic acid
CID 23006024
3-Ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
CID 69472155
Ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate
CID 69473339
3-(2-Methylpropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
CID 69476796
2-(5-ethyl-1H-pyrazol-4-yl)acetic acid
CID 82416657
Methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
CID 102568805
(3S)-3-amino-3-(5-ethyl-1H-pyrazol-4-yl)butanoic acid
CID 122538027
2-methyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
CID 135349057

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid (CID 83905522) is 5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid is CC1Cc2[nH]ncc2C1C(=O)O.
What is the InChIKey of 5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is UCGQZSGUCKUJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-2-6-5(3-9-10-6)7(4)8(11)12/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid?
5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83905522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).