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

C9H14N2O — CID 66023141

IUPAC2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESCCCn1[nH]c2c(c1=O)CCC2
InChIInChI=1S/C9H14N2O/c1-2-6-11-9(12)7-4-3-5-8(7)10-11/h10H,2-6H2,1H3
InChIKeyYXCVURBHNVOHPB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.08
Rot. Bonds2

About 2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 66023141) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID66023141
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESCCCn1[nH]c2c(c1=O)CCC2
InChIInChI=1S/C9H14N2O/c1-2-6-11-9(12)7-4-3-5-8(7)10-11/h10H,2-6H2,1H3
InChIKeyYXCVURBHNVOHPB-UHFFFAOYSA-N
XLogP1.08
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 66023141) is 2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is CCCn1[nH]c2c(c1=O)CCC2.
What is the InChIKey of 2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is YXCVURBHNVOHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-6-11-9(12)7-4-3-5-8(7)10-11/h10H,2-6H2,1H3.
What are the key properties of 2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 66023141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).