2-(1-phenylcyclopropyl)-1H-indazol-3-one

C16H14N2O — CID 131845574

IUPAC2-(1-phenylcyclopropyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1C1(c2ccccc2)CC1
InChIInChI=1S/C16H14N2O/c19-15-13-8-4-5-9-14(13)17-18(15)16(10-11-16)12-6-2-1-3-7-12/h1-9,17H,10-11H2
InChIKeyCOLBGAOVZMLPOA-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.87
Rot. Bonds2

About 2-(1-phenylcyclopropyl)-1H-indazol-3-one

2-(1-phenylcyclopropyl)-1H-indazol-3-one (PubChem CID 131845574) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(1-phenylcyclopropyl)-1H-indazol-3-one.

Molecular Properties

Compound Name2-(1-phenylcyclopropyl)-1H-indazol-3-one
PubChem CID131845574
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-(1-phenylcyclopropyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1C1(c2ccccc2)CC1
InChIInChI=1S/C16H14N2O/c19-15-13-8-4-5-9-14(13)17-18(15)16(10-11-16)12-6-2-1-3-7-12/h1-9,17H,10-11H2
InChIKeyCOLBGAOVZMLPOA-UHFFFAOYSA-N
XLogP2.87
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclopropyl)-1H-indazol-3-one?
The IUPAC name of 2-(1-phenylcyclopropyl)-1H-indazol-3-one (CID 131845574) is 2-(1-phenylcyclopropyl)-1H-indazol-3-one.
What is the SMILES notation for 2-(1-phenylcyclopropyl)-1H-indazol-3-one?
The canonical SMILES for 2-(1-phenylcyclopropyl)-1H-indazol-3-one is O=c1c2ccccc2[nH]n1C1(c2ccccc2)CC1.
What is the InChIKey of 2-(1-phenylcyclopropyl)-1H-indazol-3-one?
The InChIKey is COLBGAOVZMLPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-15-13-8-4-5-9-14(13)17-18(15)16(10-11-16)12-6-2-1-3-7-12/h1-9,17H,10-11H2.
What are the key properties of 2-(1-phenylcyclopropyl)-1H-indazol-3-one?
2-(1-phenylcyclopropyl)-1H-indazol-3-one has a molecular weight of 250.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclopropyl)-1H-indazol-3-one is sourced from PubChem (CID 131845574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).