1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea

C16H16N4O — CID 56596554

IUPAC1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21)
InChIKeyXEZOXLSEWZHMQY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.93
Rot. Bonds4

About 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea

1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea (PubChem CID 56596554) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea
PubChem CID56596554
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21)
InChIKeyXEZOXLSEWZHMQY-UHFFFAOYSA-N
XLogP2.93
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea (CID 56596554) is 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea?
The InChIKey is XEZOXLSEWZHMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea?
1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea has a molecular weight of 280.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 56596554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).