1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea

C20H15ClN4O — CID 10248119

IUPAC1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C20H15ClN4O/c21-17-12-18-16(11-15(17)13-7-3-1-4-8-13)19(25-24-18)23-20(26)22-14-9-5-2-6-10-14/h1-12H,(H3,22,23,24,25,26)
InChIKeyNZOKOFZKUJDFLL-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.53
Rot. Bonds3

About 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea

1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea (PubChem CID 10248119) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea
PubChem CID10248119
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C20H15ClN4O/c21-17-12-18-16(11-15(17)13-7-3-1-4-8-13)19(25-24-18)23-20(26)22-14-9-5-2-6-10-14/h1-12H,(H3,22,23,24,25,26)
InChIKeyNZOKOFZKUJDFLL-UHFFFAOYSA-N
XLogP5.53
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea?
The IUPAC name of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea (CID 10248119) is 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea?
The canonical SMILES for 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea?
The InChIKey is NZOKOFZKUJDFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-17-12-18-16(11-15(17)13-7-3-1-4-8-13)19(25-24-18)23-20(26)22-14-9-5-2-6-10-14/h1-12H,(H3,22,23,24,25,26).
What are the key properties of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea?
1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea has a molecular weight of 362.82 g/mol, XLogP of 5.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea is sourced from PubChem (CID 10248119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).