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

C11H16N2O2 — CID 83861618

IUPAC3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCC(C)(C)c1n[nH]c2c1C(C(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-11(2,3)9-8-6(10(14)15)4-5-7(8)12-13-9/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeySLRKASRDOTUHPZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds1

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

3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83861618) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83861618
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCC(C)(C)c1n[nH]c2c1C(C(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-11(2,3)9-8-6(10(14)15)4-5-7(8)12-13-9/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeySLRKASRDOTUHPZ-UHFFFAOYSA-N
XLogP1.82
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Sec-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 49862074
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-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2,2-difluoropropanoic acid
CID 165629901
3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-4,4,4-trifluorobutanoic acid
CID 165629906
3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-3,3-difluoropropanoic acid
CID 165633925
1-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-4,4-difluorocyclohexane-1-carboxylic acid
CID 165652701

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid (CID 83861618) is 3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid is CC(C)(C)c1n[nH]c2c1C(C(=O)O)CC2.
What is the InChIKey of 3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is SLRKASRDOTUHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)9-8-6(10(14)15)4-5-7(8)12-13-9/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83861618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).