2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

C9H14N2O2 — CID 105440028

IUPAC2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1CCCO)CCC2
InChIInChI=1S/C9H14N2O2/c12-6-2-5-11-9(13)7-3-1-4-8(7)10-11/h10,12H,1-6H2
InChIKeyLQUGPPFLQIWOFZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.05
Rot. Bonds3

About 2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 105440028) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID105440028
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1CCCO)CCC2
InChIInChI=1S/C9H14N2O2/c12-6-2-5-11-9(13)7-3-1-4-8(7)10-11/h10,12H,1-6H2
InChIKeyLQUGPPFLQIWOFZ-UHFFFAOYSA-N
XLogP0.05
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 105461808
2-(2-Hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66020841
2-(2-Methylpropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66020860
2-Butan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66020882
2-Propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66021697
2-Pentan-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66021913
2-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66022322
5,6-Dihydro-3-hydroxy-2(4H)-cyclopentapyrazolepropanenitrile
CID 66022714
2-(2-Hydroxycyclohexyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66022748
2-Propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66023141
2-Butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66023349
2-(3-Oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid
CID 66023379

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 105440028) is 2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is O=c1c2c([nH]n1CCCO)CCC2.
What is the InChIKey of 2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is LQUGPPFLQIWOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-6-2-5-11-9(13)7-3-1-4-8(7)10-11/h10,12H,1-6H2.
What are the key properties of 2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 105440028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).