N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide

C23H24N4O3 — CID 53196011

IUPACN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide
SMILESCCn1c(-c2cc(NC(=O)C(C)Oc3ccccc3)n[nH]2)cc2cc(OC)ccc21
InChIInChI=1S/C23H24N4O3/c1-4-27-20-11-10-18(29-3)12-16(20)13-21(27)19-14-22(26-25-19)24-23(28)15(2)30-17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H2,24,25,26,28)
InChIKeyLWJUWRGNWHTPAB-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.47
Rot. Bonds7

About N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide

N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide (PubChem CID 53196011) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide
PubChem CID53196011
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide
SMILESCCn1c(-c2cc(NC(=O)C(C)Oc3ccccc3)n[nH]2)cc2cc(OC)ccc21
InChIInChI=1S/C23H24N4O3/c1-4-27-20-11-10-18(29-3)12-16(20)13-21(27)19-14-22(26-25-19)24-23(28)15(2)30-17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H2,24,25,26,28)
InChIKeyLWJUWRGNWHTPAB-UHFFFAOYSA-N
XLogP4.47
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53195961
N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide
CID 53195937
2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 110281072
5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 53196151
N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 53196096
N-(4-ethyl-1H-pyrazol-5-yl)-2-(4-methoxyphenoxy)propanamide
CID 115680789
(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 52792045
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide
CID 83093404
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide
CID 6498719
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide?
The IUPAC name of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide (CID 53196011) is N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide is CCn1c(-c2cc(NC(=O)C(C)Oc3ccccc3)n[nH]2)cc2cc(OC)ccc21.
What is the InChIKey of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide?
The InChIKey is LWJUWRGNWHTPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-4-27-20-11-10-18(29-3)12-16(20)13-21(27)19-14-22(26-25-19)24-23(28)15(2)30-17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H2,24,25,26,28).
What are the key properties of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide?
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide has a molecular weight of 404.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide is sourced from PubChem (CID 53196011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).