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

C10H14N2O2 — CID 83861648

IUPAC3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCC(C)c1n[nH]c2c1C(C(=O)O)CC2
InChIInChI=1S/C10H14N2O2/c1-5(2)9-8-6(10(13)14)3-4-7(8)11-12-9/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyYRVKMFDRFGVFOF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.65
Rot. Bonds2

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

3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83861648) 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[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83861648
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCC(C)c1n[nH]c2c1C(C(=O)O)CC2
InChIInChI=1S/C10H14N2O2/c1-5(2)9-8-6(10(13)14)3-4-7(8)11-12-9/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyYRVKMFDRFGVFOF-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

5-Propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 49862072
5-Isopropyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 49862073
6-Propyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 44441316
5-Sec-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 49862074
5-Methyl-1,4,5,6-tetrahydrocyclopenta[C]pyrazole-3-carboxylic acid
CID 25033881
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
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

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid (CID 83861648) is 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid is CC(C)c1n[nH]c2c1C(C(=O)O)CC2.
What is the InChIKey of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is YRVKMFDRFGVFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-5(2)9-8-6(10(13)14)3-4-7(8)11-12-9/h5-6H,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[c]pyrazole-4-carboxylic acid?
3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-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[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83861648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).