1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine

C16H15ClFN3 — CID 102620369

IUPAC1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(Cc2cc(F)ccc2Cl)c2ccccc12
InChIInChI=1S/C16H15ClFN3/c1-19-9-15-13-4-2-3-5-16(13)21(20-15)10-11-8-12(18)6-7-14(11)17/h2-8,19H,9-10H2,1H3
InChIKeyZNFARLIXUVTIRV-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.60
Rot. Bonds4

About 1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine

1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine (PubChem CID 102620369) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
PubChem CID102620369
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(Cc2cc(F)ccc2Cl)c2ccccc12
InChIInChI=1S/C16H15ClFN3/c1-19-9-15-13-4-2-3-5-16(13)21(20-15)10-11-8-12(18)6-7-14(11)17/h2-8,19H,9-10H2,1H3
InChIKeyZNFARLIXUVTIRV-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
CID 114934339
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
[1-[(2-chloro-3-fluorophenyl)methyl]indazol-3-yl]methanamine
CID 115984346
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine
CID 106731962
1-[(2-chlorophenyl)methyl]indazol-3-amine
CID 55104008
N-[[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 102620068
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015728
1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine
CID 103184311
3-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one
CID 44609472

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine (CID 102620369) is 1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine is CNCc1nn(Cc2cc(F)ccc2Cl)c2ccccc12.
What is the InChIKey of 1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine?
The InChIKey is ZNFARLIXUVTIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-19-9-15-13-4-2-3-5-16(13)21(20-15)10-11-8-12(18)6-7-14(11)17/h2-8,19H,9-10H2,1H3.
What are the key properties of 1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine?
1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine has a molecular weight of 303.77 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 102620369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).