N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine

C20H16ClN3O — CID 23877812

IUPACN-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine
SMILESClc1ccc(Oc2cccc(CNc3ccc4[nH]ncc4c3)c2)cc1
InChIInChI=1S/C20H16ClN3O/c21-16-4-7-18(8-5-16)25-19-3-1-2-14(10-19)12-22-17-6-9-20-15(11-17)13-23-24-20/h1-11,13,22H,12H2,(H,23,24)
InChIKeyNBAIJNYMGVYAGV-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.62
Rot. Bonds5

About N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine

N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine (PubChem CID 23877812) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine
PubChem CID23877812
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC NameN-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine
SMILESClc1ccc(Oc2cccc(CNc3ccc4[nH]ncc4c3)c2)cc1
InChIInChI=1S/C20H16ClN3O/c21-16-4-7-18(8-5-16)25-19-3-1-2-14(10-19)12-22-17-6-9-20-15(11-17)13-23-24-20/h1-11,13,22H,12H2,(H,23,24)
InChIKeyNBAIJNYMGVYAGV-UHFFFAOYSA-N
XLogP5.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine?
The IUPAC name of N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine (CID 23877812) is N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine is Clc1ccc(Oc2cccc(CNc3ccc4[nH]ncc4c3)c2)cc1.
What is the InChIKey of N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine?
The InChIKey is NBAIJNYMGVYAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c21-16-4-7-18(8-5-16)25-19-3-1-2-14(10-19)12-22-17-6-9-20-15(11-17)13-23-24-20/h1-11,13,22H,12H2,(H,23,24).
What are the key properties of N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine?
N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine has a molecular weight of 349.82 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine is sourced from PubChem (CID 23877812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).