N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

C24H20IN3O2 — CID 90990929

IUPACN-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2c3[nH][nH]c(Nc4cccc(I)c4)c-3cc2cc1OCc1ccccc1
InChIInChI=1S/C24H20IN3O2/c1-29-21-13-19-16(11-22(21)30-14-15-6-3-2-4-7-15)10-20-23(19)27-28-24(20)26-18-9-5-8-17(25)12-18/h2-13,26-28H,14H2,1H3
InChIKeyNHLQSDWBGVLGFE-UHFFFAOYSA-N
MW509.35 g/mol
LogP6.54
Rot. Bonds6

About N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 90990929) has the molecular formula C24H20IN3O2 and a molecular weight of 509.35 g/mol. Its IUPAC name is N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID90990929
Molecular FormulaC24H20IN3O2
Molecular Weight509.35 g/mol
Exact Mass509.06
IUPAC NameN-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2c3[nH][nH]c(Nc4cccc(I)c4)c-3cc2cc1OCc1ccccc1
InChIInChI=1S/C24H20IN3O2/c1-29-21-13-19-16(11-22(21)30-14-15-6-3-2-4-7-15)10-20-23(19)27-28-24(20)26-18-9-5-8-17(25)12-18/h2-13,26-28H,14H2,1H3
InChIKeyNHLQSDWBGVLGFE-UHFFFAOYSA-N
XLogP6.54
TPSA62.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.35
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 90836963
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
6-fluoro-N-(3-methoxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 91392845
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
CID 72699042
1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol
CID 60900225
3-[[3-[(2-chlorophenyl)methylamino]-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol
CID 90795983
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
4-methoxy-3-phenylmethoxybenzamide
CID 22467475

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 90990929) is N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is COc1cc2c3[nH][nH]c(Nc4cccc(I)c4)c-3cc2cc1OCc1ccccc1.
What is the InChIKey of N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is NHLQSDWBGVLGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20IN3O2/c1-29-21-13-19-16(11-22(21)30-14-15-6-3-2-4-7-15)10-20-23(19)27-28-24(20)26-18-9-5-8-17(25)12-18/h2-13,26-28H,14H2,1H3.
What are the key properties of N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 509.35 g/mol, XLogP of 6.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 90990929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).