4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide

C20H26N4O2 — CID 87213434

IUPAC4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide
SMILESCC(C)CO/N=C1/CC(C)(C)Cc2c1cnn2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C20H26N4O2/c1-13(2)12-26-23-17-9-20(3,4)10-18-16(17)11-22-24(18)15-7-5-14(6-8-15)19(21)25/h5-8,11,13H,9-10,12H2,1-4H3,(H2,21,25)/b23-17-
InChIKeyHKXZMTLDRVLGAE-QJOMJCCJSA-N
MW354.45 g/mol
LogP3.32
Rot. Bonds5

About 4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide

4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide (PubChem CID 87213434) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide
PubChem CID87213434
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide
SMILESCC(C)CO/N=C1/CC(C)(C)Cc2c1cnn2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C20H26N4O2/c1-13(2)12-26-23-17-9-20(3,4)10-18-16(17)11-22-24(18)15-7-5-14(6-8-15)19(21)25/h5-8,11,13H,9-10,12H2,1-4H3,(H2,21,25)/b23-17-
InChIKeyHKXZMTLDRVLGAE-QJOMJCCJSA-N
XLogP3.32
TPSA82.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide?
The IUPAC name of 4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide (CID 87213434) is 4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide.
What is the SMILES notation for 4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide?
The canonical SMILES for 4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide is CC(C)CO/N=C1/CC(C)(C)Cc2c1cnn2-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide?
The InChIKey is HKXZMTLDRVLGAE-QJOMJCCJSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)12-26-23-17-9-20(3,4)10-18-16(17)11-22-24(18)15-7-5-14(6-8-15)19(21)25/h5-8,11,13H,9-10,12H2,1-4H3,(H2,21,25)/b23-17-.
What are the key properties of 4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide?
4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide is sourced from PubChem (CID 87213434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).