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

C14H11BrN4O — CID 25197647

IUPAC1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1n[nH]c2ccccc12
InChIInChI=1S/C14H11BrN4O/c15-9-5-7-10(8-6-9)16-14(20)17-13-11-3-1-2-4-12(11)18-19-13/h1-8H,(H3,16,17,18,19,20)
InChIKeyXSKJXAWBFOPOAW-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.97
Rot. Bonds2

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

1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea (PubChem CID 25197647) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
PubChem CID25197647
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1n[nH]c2ccccc12
InChIInChI=1S/C14H11BrN4O/c15-9-5-7-10(8-6-9)16-14(20)17-13-11-3-1-2-4-12(11)18-19-13/h1-8H,(H3,16,17,18,19,20)
InChIKeyXSKJXAWBFOPOAW-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-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea
CID 25197518
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea
CID 62686211
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide
CID 61068511
N-(1H-indazol-3-yl)prop-2-enamide
CID 62686025
5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112527867
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
2-amino-N-(1H-indazol-3-yl)acetamide;hydrochloride
CID 130729532
6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide
CID 112527825
4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide
CID 62686203
5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide
CID 112527831

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea (CID 25197647) is 1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea is O=C(Nc1ccc(Br)cc1)Nc1n[nH]c2ccccc12.
What is the InChIKey of 1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea?
The InChIKey is XSKJXAWBFOPOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c15-9-5-7-10(8-6-9)16-14(20)17-13-11-3-1-2-4-12(11)18-19-13/h1-8H,(H3,16,17,18,19,20).
What are the key properties of 1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea?
1-(4-bromophenyl)-3-(1H-indazol-3-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-3-yl)urea is sourced from PubChem (CID 25197647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).