2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

C12H12N2O — CID 2877964

IUPAC2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=C1C2CCCC2=NN1c1ccccc1
InChIInChI=1S/C12H12N2O/c15-12-10-7-4-8-11(10)13-14(12)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyXTVSZSYGOCWZGH-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.19
Rot. Bonds1

About 2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 2877964) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID2877964
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=C1C2CCCC2=NN1c1ccccc1
InChIInChI=1S/C12H12N2O/c15-12-10-7-4-8-11(10)13-14(12)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyXTVSZSYGOCWZGH-UHFFFAOYSA-N
XLogP2.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Mci-186
CID 4021
3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-
CID 78559
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
CID 66591
1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
CID 668302
4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)
CID 95807
3-Methyl-1,4-diphenyl-1H-pyrazole-5(4H)-one
CID 11414033
4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one
CID 78330
3,4-Dimethyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 86633
1-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 702012
4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 4998861
3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-
CID 136765
1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
CID 608697

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 2877964) is 2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is O=C1C2CCCC2=NN1c1ccccc1.
What is the InChIKey of 2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is XTVSZSYGOCWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-10-7-4-8-11(10)13-14(12)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2.
What are the key properties of 2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 200.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 2877964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).