2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid

C9H12N2O2 — CID 82409108

IUPAC2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid
SMILESCc1[nH]nc2c1CC(CC(=O)O)C2
InChIInChI=1S/C9H12N2O2/c1-5-7-2-6(4-9(12)13)3-8(7)11-10-5/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyWBTBCQSFWIDFEG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.91
Rot. Bonds2

About 2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid

2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid (PubChem CID 82409108) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid
PubChem CID82409108
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid
SMILESCc1[nH]nc2c1CC(CC(=O)O)C2
InChIInChI=1S/C9H12N2O2/c1-5-7-2-6(4-9(12)13)3-8(7)11-10-5/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyWBTBCQSFWIDFEG-UHFFFAOYSA-N
XLogP0.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 776058
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CID 23005990
3-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 73357524
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
CID 71185030
2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
CID 71185034
2-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
CID 71185055
Ethyl 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetate
CID 71185076
ethyl 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetate
CID 71185234
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861625
2-[3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
CID 83861629
5-amino-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid
CID 112483025

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid (CID 82409108) is 2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid is Cc1[nH]nc2c1CC(CC(=O)O)C2.
What is the InChIKey of 2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid?
The InChIKey is WBTBCQSFWIDFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-7-2-6(4-9(12)13)3-8(7)11-10-5/h6H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid?
2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid is sourced from PubChem (CID 82409108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).