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

C15H14N4O — CID 4256141

IUPAC1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C15H14N4O/c1-10-2-5-12(6-3-10)17-15(20)18-13-7-4-11-9-16-19-14(11)8-13/h2-9H,1H3,(H,16,19)(H2,17,18,20)
InChIKeyJQRLAVNQCPXLPS-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.52
Rot. Bonds2

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

1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea (PubChem CID 4256141) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
PubChem CID4256141
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C15H14N4O/c1-10-2-5-12(6-3-10)17-15(20)18-13-7-4-11-9-16-19-14(11)8-13/h2-9H,1H3,(H,16,19)(H2,17,18,20)
InChIKeyJQRLAVNQCPXLPS-UHFFFAOYSA-N
XLogP3.52
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278
N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
CID 36563064
ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate
CID 108865659
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108873385
1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108885965
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108872270

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea (CID 4256141) is 1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of 1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea?
The InChIKey is JQRLAVNQCPXLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-2-5-12(6-3-10)17-15(20)18-13-7-4-11-9-16-19-14(11)8-13/h2-9H,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of 1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea?
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea has a molecular weight of 266.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 4256141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).