1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea

C14H11BrN4O — CID 108869291

IUPAC1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H11BrN4O/c15-10-2-5-11(6-3-10)17-14(20)18-12-4-1-9-8-16-19-13(9)7-12/h1-8H,(H,16,19)(H2,17,18,20)
InChIKeyJYFZNVGUEGLFNI-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.97
Rot. Bonds2

About 1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea

1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea (PubChem CID 108869291) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
PubChem CID108869291
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H11BrN4O/c15-10-2-5-11(6-3-10)17-14(20)18-12-4-1-9-8-16-19-13(9)7-12/h1-8H,(H,16,19)(H2,17,18,20)
InChIKeyJYFZNVGUEGLFNI-UHFFFAOYSA-N
XLogP3.97
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278
1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108885965
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
1-(furan-2-yl)-3-(1H-indazol-6-yl)urea
CID 108868544
5-bromo-N-(1H-indazol-6-yl)-1H-indazole-3-carboxamide
CID 117073881
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826
ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate
CID 108865659
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887
N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide
CID 108530119

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea (CID 108869291) is 1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea is O=C(Nc1ccc(Br)cc1)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea?
The InChIKey is JYFZNVGUEGLFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c15-10-2-5-11(6-3-10)17-14(20)18-12-4-1-9-8-16-19-13(9)7-12/h1-8H,(H,16,19)(H2,17,18,20).
What are the key properties of 1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea?
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea has a molecular weight of 331.17 g/mol, XLogP of 3.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108869291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).