2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid

C11H16N2O2 — CID 83861652

IUPAC2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCC(C)c1n[nH]c2c1C(CC(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-6(2)11-10-7(5-9(14)15)3-4-8(10)12-13-11/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQQPACFJAVPBBKA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.04
Rot. Bonds3

About 2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid

2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 83861652) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID83861652
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCC(C)c1n[nH]c2c1C(CC(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-6(2)11-10-7(5-9(14)15)3-4-8(10)12-13-11/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQQPACFJAVPBBKA-UHFFFAOYSA-N
XLogP2.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.04
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-[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
2-[3-(Trifluoromethyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-4-yl]acetic acid
CID 71185301
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-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid (CID 83861652) is 2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid is CC(C)c1n[nH]c2c1C(CC(=O)O)CC2.
What is the InChIKey of 2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is QQPACFJAVPBBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6(2)11-10-7(5-9(14)15)3-4-8(10)12-13-11/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83861652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).