1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea

C15H13BrN4O — CID 24768216

IUPAC1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea
SMILESO=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H13BrN4O/c16-12-3-1-10(2-4-12)8-17-15(21)19-13-5-6-14-11(7-13)9-18-20-14/h1-7,9H,8H2,(H,18,20)(H2,17,19,21)
InChIKeyNPLQZQGAZAUUTB-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.65
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea

1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea (PubChem CID 24768216) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea
PubChem CID24768216
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea
SMILESO=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H13BrN4O/c16-12-3-1-10(2-4-12)8-17-15(21)19-13-5-6-14-11(7-13)9-18-20-14/h1-7,9H,8H2,(H,18,20)(H2,17,19,21)
InChIKeyNPLQZQGAZAUUTB-UHFFFAOYSA-N
XLogP3.65
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
3-1H-indazol-4-yl-1-{[3-(trifluoromethyl)phenyl]methyl}urea
CID 22337600
1-(1h-Indazol-5-Yl)-3-(2-Phenylethyl)urea
CID 56596554
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-bromophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16748252
3-1H-indazol-4-yl-1-[(1S)-1-(4-methylphenyl)ethyl]urea
CID 24768210
3-1H-indazol-4-yl-1-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 24768211
1-[(4-bromophenyl)methyl]-3-1H-indazol-4-ylurea
CID 22032601
2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide
CID 6466581
N-(2-bromophenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510437
1-(2,6-difluorobenzyl)-3-(1H-indazol-5-yl)urea
CID 9900997
1-[3-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(1H-indazol-5-yl)-urea
CID 11004681
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(1H-indazol-5-yl)-urea
CID 11048445

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea (CID 24768216) is 1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea is O=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea?
The InChIKey is NPLQZQGAZAUUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-12-3-1-10(2-4-12)8-17-15(21)19-13-5-6-14-11(7-13)9-18-20-14/h1-7,9H,8H2,(H,18,20)(H2,17,19,21).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea?
1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea has a molecular weight of 345.20 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(1H-indazol-5-yl)urea is sourced from PubChem (CID 24768216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).