N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine

C21H19N3O — CID 121255971

IUPACN-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine
SMILESc1ccc(COc2ccccc2CNc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C21H19N3O/c1-2-6-16(7-3-1)15-25-21-9-5-4-8-17(21)13-22-19-10-11-20-18(12-19)14-23-24-20/h1-12,14,22H,13,15H2,(H,23,24)
InChIKeyVYKSKCAYWQOBKE-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.75
Rot. Bonds6

About N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine

N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine (PubChem CID 121255971) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine
PubChem CID121255971
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine
SMILESc1ccc(COc2ccccc2CNc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C21H19N3O/c1-2-6-16(7-3-1)15-25-21-9-5-4-8-17(21)13-22-19-10-11-20-18(12-19)14-23-24-20/h1-12,14,22H,13,15H2,(H,23,24)
InChIKeyVYKSKCAYWQOBKE-UHFFFAOYSA-N
XLogP4.75
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl-[2-(1H-indazol-4-yloxy)-ethyl]-amine
CID 9816808
N-1H-indazol-5-yl-2-(2-isopropylphenoxy)acetamide
CID 6469899
N-1H-indazol-5-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 17165126
1-(8-cyclohexylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11516653
1-(chroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11638123
N-(1-(3,5-dimethoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098475
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888
5-(1-benzylpiperidin-3-yloxy)-1H-indazole
CID 44421889
1-(6-fluorochroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 53251173
1-(1H-indazol-4-yl)-3-(6-methylchroman-4-yl)urea
CID 53251330
1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 70691934

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine (CID 121255971) is N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine is c1ccc(COc2ccccc2CNc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is VYKSKCAYWQOBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-2-6-16(7-3-1)15-25-21-9-5-4-8-17(21)13-22-19-10-11-20-18(12-19)14-23-24-20/h1-12,14,22H,13,15H2,(H,23,24).
What are the key properties of N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine?
N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 329.40 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxyphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 121255971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).