N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine

C15H14ClN3 — CID 59514112

IUPACN-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine
SMILESCn1ncc2ccc(NCc3ccc(Cl)cc3)cc21
InChIInChI=1S/C15H14ClN3/c1-19-15-8-14(7-4-12(15)10-18-19)17-9-11-2-5-13(16)6-3-11/h2-8,10,17H,9H2,1H3
InChIKeyVMUOSFFRMIEQQB-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.84
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine

N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine (PubChem CID 59514112) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine
PubChem CID59514112
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine
SMILESCn1ncc2ccc(NCc3ccc(Cl)cc3)cc21
InChIInChI=1S/C15H14ClN3/c1-19-15-8-14(7-4-12(15)10-18-19)17-9-11-2-5-13(16)6-3-11/h2-8,10,17H,9H2,1H3
InChIKeyVMUOSFFRMIEQQB-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2H-indazol-6-amine
CID 590220
1-benzyl-1H-indazole
CID 797066
N-(3,4-dichlorophenyl)-1-(1-methylindazol-5-yl)methanimine
CID 77844772
N-(3,4-dichlorobenzyl)-N'-(1-methyl-1H-indazol-4-yl)urea
CID 22337584
N-(4-chlorobenzyl)-N'-(1-methyl-1H-indazol-4-yl)urea
CID 22337589
N-(1-(4-chlorobenzyl)piperidin-4-yl)-1H-indazol-5-amine
CID 21098489
1-methyl-1H-indazol-6-amine
CID 840433
(2S)-1-(5,6-dichloroindazol-1-yl)propan-2-amine
CID 44452832
N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 155511242
1-(3-chlorobenzyl)-1H-indazole
CID 20425690
1-(2-chloro-6-fluorobenzyl)-1H-indazole
CID 20425687
N-(2-chloro-4-methylphenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885359

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine (CID 59514112) is N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine is Cn1ncc2ccc(NCc3ccc(Cl)cc3)cc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine?
The InChIKey is VMUOSFFRMIEQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-19-15-8-14(7-4-12(15)10-18-19)17-9-11-2-5-13(16)6-3-11/h2-8,10,17H,9H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine?
N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine has a molecular weight of 271.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-methylindazol-6-amine is sourced from PubChem (CID 59514112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).