N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine

C15H13Cl2N3 — CID 59514308

IUPACN-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine
SMILESCn1ncc2ccc(NCc3ccc(Cl)cc3Cl)cc21
InChIInChI=1S/C15H13Cl2N3/c1-20-15-7-13(5-3-11(15)9-19-20)18-8-10-2-4-12(16)6-14(10)17/h2-7,9,18H,8H2,1H3
InChIKeyQXOCNWVDGWBQHT-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.49
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine

N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine (PubChem CID 59514308) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine
PubChem CID59514308
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine
SMILESCn1ncc2ccc(NCc3ccc(Cl)cc3Cl)cc21
InChIInChI=1S/C15H13Cl2N3/c1-20-15-7-13(5-3-11(15)9-19-20)18-8-10-2-4-12(16)6-14(10)17/h2-7,9,18H,8H2,1H3
InChIKeyQXOCNWVDGWBQHT-UHFFFAOYSA-N
XLogP4.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine (CID 59514308) is N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine is Cn1ncc2ccc(NCc3ccc(Cl)cc3Cl)cc21.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine?
The InChIKey is QXOCNWVDGWBQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-20-15-7-13(5-3-11(15)9-19-20)18-8-10-2-4-12(16)6-14(10)17/h2-7,9,18H,8H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine?
N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine has a molecular weight of 306.20 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine is sourced from PubChem (CID 59514308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).