(6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid

C10H14N2O2 — CID 129375486

IUPAC(6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid
SMILESCC(C)n1ncc2c1[C@@H](C(=O)O)CC2
InChIInChI=1S/C10H14N2O2/c1-6(2)12-9-7(5-11-12)3-4-8(9)10(13)14/h5-6,8H,3-4H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyJBAIDFALKJPEKV-QMMMGPOBSA-N
MW194.23 g/mol
LogP1.58
Rot. Bonds2

About (6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid

(6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid (PubChem CID 129375486) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid
PubChem CID129375486
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid
SMILESCC(C)n1ncc2c1[C@@H](C(=O)O)CC2
InChIInChI=1S/C10H14N2O2/c1-6(2)12-9-7(5-11-12)3-4-8(9)10(13)14/h5-6,8H,3-4H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyJBAIDFALKJPEKV-QMMMGPOBSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 137027793
1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone
CID 105459519
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid
CID 83907543
(6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067823
1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011554
5-methoxy-N-[(7S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]pyrimidine-2-carboxamide
CID 164641333
2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640841
1-(1,1-dioxothiolan-3-yl)-3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea
CID 167916777
2-propan-2-yl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 83863210
6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122112768
(6R)-6-cyclopropyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067833
(6S)-6-cyclopropyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067834

Frequently Asked Questions

What is the IUPAC name of (6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid?
The IUPAC name of (6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid (CID 129375486) is (6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid.
What is the SMILES notation for (6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid?
The canonical SMILES for (6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid is CC(C)n1ncc2c1[C@@H](C(=O)O)CC2.
What is the InChIKey of (6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid?
The InChIKey is JBAIDFALKJPEKV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)12-9-7(5-11-12)3-4-8(9)10(13)14/h5-6,8H,3-4H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid?
(6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid is sourced from PubChem (CID 129375486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).