N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide

C19H15BrN4O2 — CID 175647368

IUPACN-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide
SMILESCC(=O)NOc1ccc(Br)cc1-c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C19H15BrN4O2/c1-11(25)24-26-19-7-6-12(20)8-14(19)17-9-18(23-22-17)15-10-21-16-5-3-2-4-13(15)16/h2-10,21H,1H3,(H,22,23)(H,24,25)
InChIKeyAXJUGCFOIZRLGX-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.42
Rot. Bonds4

About N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide

N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide (PubChem CID 175647368) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide
PubChem CID175647368
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC NameN-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide
SMILESCC(=O)NOc1ccc(Br)cc1-c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C19H15BrN4O2/c1-11(25)24-26-19-7-6-12(20)8-14(19)17-9-18(23-22-17)15-10-21-16-5-3-2-4-13(15)16/h2-10,21H,1H3,(H,22,23)(H,24,25)
InChIKeyAXJUGCFOIZRLGX-UHFFFAOYSA-N
XLogP4.42
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 155954366
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135954578
N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 136585265
4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide
CID 61068511
(2R)-2-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 31510372
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729868
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 166327720
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
3-(1H-indol-3-yl)-N-(1,4,4-trimethylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
CID 154870074
N-[[4-[(3-aminopropanoylamino)methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729849
methyl 2-(1H-indol-3-yl)benzoate
CID 67678189

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide?
The IUPAC name of N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide (CID 175647368) is N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide?
The canonical SMILES for N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide is CC(=O)NOc1ccc(Br)cc1-c1cc(-c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide?
The InChIKey is AXJUGCFOIZRLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-11(25)24-26-19-7-6-12(20)8-14(19)17-9-18(23-22-17)15-10-21-16-5-3-2-4-13(15)16/h2-10,21H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide?
N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide has a molecular weight of 411.26 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-[3-(1H-indol-3-yl)-1H-pyrazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 175647368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).