1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea

C19H22N4O — CID 51128817

IUPAC1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea
SMILESCCn1ncc2ccc(NC(=O)NCC(C)c3ccccc3)cc21
InChIInChI=1S/C19H22N4O/c1-3-23-18-11-17(10-9-16(18)13-21-23)22-19(24)20-12-14(2)15-7-5-4-6-8-15/h4-11,13-14H,3,12H2,1-2H3,(H2,20,22,24)
InChIKeySSYBWGSZCIITTQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.98
Rot. Bonds5

About 1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea

1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea (PubChem CID 51128817) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea
PubChem CID51128817
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea
SMILESCCn1ncc2ccc(NC(=O)NCC(C)c3ccccc3)cc21
InChIInChI=1S/C19H22N4O/c1-3-23-18-11-17(10-9-16(18)13-21-23)22-19(24)20-12-14(2)15-7-5-4-6-8-15/h4-11,13-14H,3,12H2,1-2H3,(H2,20,22,24)
InChIKeySSYBWGSZCIITTQ-UHFFFAOYSA-N
XLogP3.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea?
The IUPAC name of 1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea (CID 51128817) is 1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea.
What is the SMILES notation for 1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea?
The canonical SMILES for 1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea is CCn1ncc2ccc(NC(=O)NCC(C)c3ccccc3)cc21.
What is the InChIKey of 1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea?
The InChIKey is SSYBWGSZCIITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-23-18-11-17(10-9-16(18)13-21-23)22-19(24)20-12-14(2)15-7-5-4-6-8-15/h4-11,13-14H,3,12H2,1-2H3,(H2,20,22,24).
What are the key properties of 1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea?
1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea has a molecular weight of 322.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-6-yl)-3-(2-phenylpropyl)urea is sourced from PubChem (CID 51128817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).