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

C11H16N2O2 — CID 112716243

IUPAC5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCC(C)c1n[nH]c2c1C(C(=O)O)C(C)C2
InChIInChI=1S/C11H16N2O2/c1-5(2)10-9-7(12-13-10)4-6(3)8(9)11(14)15/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyREWURLTZKHIWBB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.89
Rot. Bonds2

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

5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 112716243) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID112716243
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCC(C)c1n[nH]c2c1C(C(=O)O)C(C)C2
InChIInChI=1S/C11H16N2O2/c1-5(2)10-9-7(12-13-10)4-6(3)8(9)11(14)15/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyREWURLTZKHIWBB-UHFFFAOYSA-N
XLogP1.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen
CID 176992288
2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one
CID 123669873
3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 83845508
1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
CID 118489164
4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 139425187
3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide
CID 118489298
(6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 95933700
1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone
CID 10749582
3-cyclopropyl-5-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
CID 112714516
5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 83918791
2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid
CID 20537883
5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine
CID 127263413

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid (CID 112716243) is 5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid is CC(C)c1n[nH]c2c1C(C(=O)O)C(C)C2.
What is the InChIKey of 5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is REWURLTZKHIWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-5(2)10-9-7(12-13-10)4-6(3)8(9)11(14)15/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 112716243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).