3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol

C9H14N2O — CID 66489194

IUPAC3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
SMILESCCCc1n[nH]c2c1C(O)CC2
InChIInChI=1S/C9H14N2O/c1-2-3-6-9-7(11-10-6)4-5-8(9)12/h8,12H,2-5H2,1H3,(H,10,11)
InChIKeyXKEVSDUMYQAMPG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.34
Rot. Bonds2

About 3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol

3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol (PubChem CID 66489194) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol.

Molecular Properties

Compound Name3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
PubChem CID66489194
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
SMILESCCCc1n[nH]c2c1C(O)CC2
InChIInChI=1S/C9H14N2O/c1-2-3-6-9-7(11-10-6)4-5-8(9)12/h8,12H,2-5H2,1H3,(H,10,11)
InChIKeyXKEVSDUMYQAMPG-UHFFFAOYSA-N
XLogP1.34
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-5-fluoro-5-methyl-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250442
5,6-Difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol;1,2,3-trifluorocyclohexane
CID 168250475
5,6-Difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol
CID 168250476
2,2-difluorospiro[2.3]hexane;5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250505
5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250506
(S)-5,5-Difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
CID 168250594
1,2-Difluorocyclohexane;5,6-difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol
CID 168250604
1,3-difluorocyclohexane;5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250656
6,6-difluorobicyclo[3.1.0]hexane;5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250660
1,5,5-Trifluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 168250664
5,6-Difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol;oxane
CID 168250704
5,5,6-trifluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazol-4-ol
CID 168250717

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol?
The IUPAC name of 3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol (CID 66489194) is 3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol.
What is the SMILES notation for 3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol?
The canonical SMILES for 3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol is CCCc1n[nH]c2c1C(O)CC2.
What is the InChIKey of 3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol?
The InChIKey is XKEVSDUMYQAMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-6-9-7(11-10-6)4-5-8(9)12/h8,12H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol?
3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol has a molecular weight of 166.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol is sourced from PubChem (CID 66489194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).