[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid

C22H19N3O3 — CID 90156932

IUPAC[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c3cccc(NC(=O)O)c32)cc1
InChIInChI=1S/C22H19N3O3/c1-28-17-12-10-15(11-13-17)14-25-21-18(8-5-9-19(21)23-22(26)27)20(24-25)16-6-3-2-4-7-16/h2-13,23H,14H2,1H3,(H,26,27)
InChIKeyNGWQZHFFJQPNCH-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.85
Rot. Bonds5

About [1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid

[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid (PubChem CID 90156932) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid
PubChem CID90156932
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c3cccc(NC(=O)O)c32)cc1
InChIInChI=1S/C22H19N3O3/c1-28-17-12-10-15(11-13-17)14-25-21-18(8-5-9-19(21)23-22(26)27)20(24-25)16-6-3-2-4-7-16/h2-13,23H,14H2,1H3,(H,26,27)
InChIKeyNGWQZHFFJQPNCH-UHFFFAOYSA-N
XLogP4.85
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate
CID 140745450
5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one
CID 123582637
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
1-[5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-4-yl]ethanone
CID 54383318
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597
5-iodo-1-[(4-methoxyphenyl)methyl]-4-phenyltriazole
CID 163323695
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 90682255
1-benzyl-4-bromo-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586324
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid?
The IUPAC name of [1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid (CID 90156932) is [1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid.
What is the SMILES notation for [1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid?
The canonical SMILES for [1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid is COc1ccc(Cn2nc(-c3ccccc3)c3cccc(NC(=O)O)c32)cc1.
What is the InChIKey of [1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid?
The InChIKey is NGWQZHFFJQPNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-28-17-12-10-15(11-13-17)14-25-21-18(8-5-9-19(21)23-22(26)27)20(24-25)16-6-3-2-4-7-16/h2-13,23H,14H2,1H3,(H,26,27).
What are the key properties of [1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid?
[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid has a molecular weight of 373.41 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid is sourced from PubChem (CID 90156932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).