[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea

C15H12Cl2N4O — CID 68615025

IUPAC[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1NC(N)=O
InChIInChI=1S/C15H12Cl2N4O/c1-21-14(19-15(18)22)11-4-2-3-10(13(11)20-21)9-6-5-8(16)7-12(9)17/h2-7H,1H3,(H3,18,19,22)
InChIKeyAXINNWKPFJDTNT-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.04
Rot. Bonds2

About [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea

[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea (PubChem CID 68615025) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea.

Molecular Properties

Compound Name[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea
PubChem CID68615025
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1NC(N)=O
InChIInChI=1S/C15H12Cl2N4O/c1-21-14(19-15(18)22)11-4-2-3-10(13(11)20-21)9-6-5-8(16)7-12(9)17/h2-7H,1H3,(H3,18,19,22)
InChIKeyAXINNWKPFJDTNT-UHFFFAOYSA-N
XLogP4.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea?
The IUPAC name of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea (CID 68615025) is [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea.
What is the SMILES notation for [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea?
The canonical SMILES for [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea is Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1NC(N)=O.
What is the InChIKey of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea?
The InChIKey is AXINNWKPFJDTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c1-21-14(19-15(18)22)11-4-2-3-10(13(11)20-21)9-6-5-8(16)7-12(9)17/h2-7H,1H3,(H3,18,19,22).
What are the key properties of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea?
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea has a molecular weight of 335.19 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea is sourced from PubChem (CID 68615025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).