3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid

C9H12N2O2 — CID 83861612

IUPAC3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCCc1n[nH]c2c1C(C(=O)O)CC2
InChIInChI=1S/C9H12N2O2/c1-2-6-8-5(9(12)13)3-4-7(8)11-10-6/h5H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyNNHAPOPKPGDYOH-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.09
Rot. Bonds2

About 3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid

3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83861612) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83861612
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCCc1n[nH]c2c1C(C(=O)O)CC2
InChIInChI=1S/C9H12N2O2/c1-2-6-8-5(9(12)13)3-4-7(8)11-10-6/h5H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyNNHAPOPKPGDYOH-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Isopropyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 49862073
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CID 23005990
2-(3,5-diethyl-1H-pyrazol-4-yl)acetic acid
CID 50987854
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
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
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-5-carboxylic acid
CID 112485977

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid (CID 83861612) is 3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid is CCc1n[nH]c2c1C(C(=O)O)CC2.
What is the InChIKey of 3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is NNHAPOPKPGDYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-6-8-5(9(12)13)3-4-7(8)11-10-6/h5H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83861612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).