1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea

C16H15ClN4O — CID 70691935

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea
SMILESO=C(NCCc1ccc(Cl)cc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)7-8-18-16(22)20-14-5-6-15-12(9-14)10-19-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H2,18,20,22)
InChIKeyOMZOSZCBUJIGIG-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.58
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea

1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea (PubChem CID 70691935) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea
PubChem CID70691935
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea
SMILESO=C(NCCc1ccc(Cl)cc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)7-8-18-16(22)20-14-5-6-15-12(9-14)10-19-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H2,18,20,22)
InChIKeyOMZOSZCBUJIGIG-UHFFFAOYSA-N
XLogP3.58
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea (CID 70691935) is 1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea is O=C(NCCc1ccc(Cl)cc1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea?
The InChIKey is OMZOSZCBUJIGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)7-8-18-16(22)20-14-5-6-15-12(9-14)10-19-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea?
1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea has a molecular weight of 314.78 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea is sourced from PubChem (CID 70691935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).