1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea

C15H13ClN4O2 — CID 108875557

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H13ClN4O2/c1-22-14-5-3-10(16)6-13(14)19-15(21)18-11-4-2-9-8-17-20-12(9)7-11/h2-8H,1H3,(H,17,20)(H2,18,19,21)
InChIKeyZSBIBYJXYNCFAS-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.87
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea (PubChem CID 108875557) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
PubChem CID108875557
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H13ClN4O2/c1-22-14-5-3-10(16)6-13(14)19-15(21)18-11-4-2-9-8-17-20-12(9)7-11/h2-8H,1H3,(H,17,20)(H2,18,19,21)
InChIKeyZSBIBYJXYNCFAS-UHFFFAOYSA-N
XLogP3.87
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 121086658
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 2810421
1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
CID 164995558
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-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea (CID 108875557) is 1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea?
The InChIKey is ZSBIBYJXYNCFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-22-14-5-3-10(16)6-13(14)19-15(21)18-11-4-2-9-8-17-20-12(9)7-11/h2-8H,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea has a molecular weight of 316.75 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108875557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).