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

C14H11ClN4O — CID 21079223

IUPAC(6-chloro-5-phenyl-1H-indazol-3-yl)urea
SMILESNC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C14H11ClN4O/c15-11-7-12-10(13(19-18-12)17-14(16)20)6-9(11)8-4-2-1-3-5-8/h1-7H,(H4,16,17,18,19,20)
InChIKeyVDQNMWAXBOCDSP-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.37
Rot. Bonds2

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

(6-chloro-5-phenyl-1H-indazol-3-yl)urea (PubChem CID 21079223) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is (6-chloro-5-phenyl-1H-indazol-3-yl)urea.

Molecular Properties

Compound Name(6-chloro-5-phenyl-1H-indazol-3-yl)urea
PubChem CID21079223
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name(6-chloro-5-phenyl-1H-indazol-3-yl)urea
SMILESNC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C14H11ClN4O/c15-11-7-12-10(13(19-18-12)17-14(16)20)6-9(11)8-4-2-1-3-5-8/h1-7H,(H4,16,17,18,19,20)
InChIKeyVDQNMWAXBOCDSP-UHFFFAOYSA-N
XLogP3.37
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-phenyl-1H-indazol-3-yl)urea?
The IUPAC name of (6-chloro-5-phenyl-1H-indazol-3-yl)urea (CID 21079223) is (6-chloro-5-phenyl-1H-indazol-3-yl)urea.
What is the SMILES notation for (6-chloro-5-phenyl-1H-indazol-3-yl)urea?
The canonical SMILES for (6-chloro-5-phenyl-1H-indazol-3-yl)urea is NC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of (6-chloro-5-phenyl-1H-indazol-3-yl)urea?
The InChIKey is VDQNMWAXBOCDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-11-7-12-10(13(19-18-12)17-14(16)20)6-9(11)8-4-2-1-3-5-8/h1-7H,(H4,16,17,18,19,20).
What are the key properties of (6-chloro-5-phenyl-1H-indazol-3-yl)urea?
(6-chloro-5-phenyl-1H-indazol-3-yl)urea has a molecular weight of 286.72 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-phenyl-1H-indazol-3-yl)urea is sourced from PubChem (CID 21079223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).