3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one

C15H21N3O — CID 77450606

IUPAC3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one
SMILESCCn1nc2c(c1C1CC1)C(=O)C(=CN(C)C)CC2
InChIInChI=1S/C15H21N3O/c1-4-18-14(10-5-6-10)13-12(16-18)8-7-11(15(13)19)9-17(2)3/h9-10H,4-8H2,1-3H3
InChIKeyWPUMDELGLWGBNT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.35
Rot. Bonds3

About 3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one

3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one (PubChem CID 77450606) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one.

Molecular Properties

Compound Name3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one
PubChem CID77450606
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one
SMILESCCn1nc2c(c1C1CC1)C(=O)C(=CN(C)C)CC2
InChIInChI=1S/C15H21N3O/c1-4-18-14(10-5-6-10)13-12(16-18)8-7-11(15(13)19)9-17(2)3/h9-10H,4-8H2,1-3H3
InChIKeyWPUMDELGLWGBNT-UHFFFAOYSA-N
XLogP2.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one?
The IUPAC name of 3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one (CID 77450606) is 3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one.
What is the SMILES notation for 3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one?
The canonical SMILES for 3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one is CCn1nc2c(c1C1CC1)C(=O)C(=CN(C)C)CC2.
What is the InChIKey of 3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one?
The InChIKey is WPUMDELGLWGBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-14(10-5-6-10)13-12(16-18)8-7-11(15(13)19)9-17(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one?
3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(dimethylaminomethylidene)-2-ethyl-6,7-dihydroindazol-4-one is sourced from PubChem (CID 77450606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).