3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid

C10H14N2O2 — CID 82401226

IUPAC3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid
SMILESCC(C)c1n[nH]c2c1CCC2C(=O)O
InChIInChI=1S/C10H14N2O2/c1-5(2)8-6-3-4-7(10(13)14)9(6)12-11-8/h5,7H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMDKUUJXAHUSLHK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.65
Rot. Bonds2

About 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid

3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid (PubChem CID 82401226) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid
PubChem CID82401226
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid
SMILESCC(C)c1n[nH]c2c1CCC2C(=O)O
InChIInChI=1S/C10H14N2O2/c1-5(2)8-6-3-4-7(10(13)14)9(6)12-11-8/h5,7H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMDKUUJXAHUSLHK-UHFFFAOYSA-N
XLogP1.65
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Propyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 44441316
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CID 23005990
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
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
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
3-(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)propanoic acid
CID 121213213
3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2,2-difluoropropanoic acid
CID 165629901

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid (CID 82401226) is 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid is CC(C)c1n[nH]c2c1CCC2C(=O)O.
What is the InChIKey of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid?
The InChIKey is MDKUUJXAHUSLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-5(2)8-6-3-4-7(10(13)14)9(6)12-11-8/h5,7H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid?
3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid is sourced from PubChem (CID 82401226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).