3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide

C22H22N4O2 — CID 27034289

IUPAC3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C22H22N4O2/c1-26-14-13-20(25-26)24-21(27)12-11-18-17-5-3-4-6-19(17)23-22(18)15-7-9-16(28-2)10-8-15/h3-10,13-14,23H,11-12H2,1-2H3,(H,24,25,27)
InChIKeyVNHVDGVPSUZDIT-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.15
Rot. Bonds6

About 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 27034289) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID27034289
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C22H22N4O2/c1-26-14-13-20(25-26)24-21(27)12-11-18-17-5-3-4-6-19(17)23-22(18)15-7-9-16(28-2)10-8-15/h3-10,13-14,23H,11-12H2,1-2H3,(H,24,25,27)
InChIKeyVNHVDGVPSUZDIT-UHFFFAOYSA-N
XLogP4.15
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
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3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
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3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
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CID 18152521
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
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ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate
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3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
3-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanoic acid
CID 119237348
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide (CID 27034289) is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccn(C)n2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is VNHVDGVPSUZDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-26-14-13-20(25-26)24-21(27)12-11-18-17-5-3-4-6-19(17)23-22(18)15-7-9-16(28-2)10-8-15/h3-10,13-14,23H,11-12H2,1-2H3,(H,24,25,27).
What are the key properties of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide?
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 27034289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).