3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

C20H22N4O2 — CID 51130208

IUPAC3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2n[nH]c(-c3ccncc3)c2C)cc1
InChIInChI=1S/C20H22N4O2/c1-3-26-17-7-4-15(5-8-17)6-9-18(25)22-20-14(2)19(23-24-20)16-10-12-21-13-11-16/h4-5,7-8,10-13H,3,6,9H2,1-2H3,(H2,22,23,24,25)
InChIKeyYETACDJTWPPOBT-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.75
Rot. Bonds7

About 3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 51130208) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
PubChem CID51130208
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2n[nH]c(-c3ccncc3)c2C)cc1
InChIInChI=1S/C20H22N4O2/c1-3-26-17-7-4-15(5-8-17)6-9-18(25)22-20-14(2)19(23-24-20)16-10-12-21-13-11-16/h4-5,7-8,10-13H,3,6,9H2,1-2H3,(H2,22,23,24,25)
InChIKeyYETACDJTWPPOBT-UHFFFAOYSA-N
XLogP3.75
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (CID 51130208) is 3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is CCOc1ccc(CCC(=O)Nc2n[nH]c(-c3ccncc3)c2C)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is YETACDJTWPPOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-26-17-7-4-15(5-8-17)6-9-18(25)22-20-14(2)19(23-24-20)16-10-12-21-13-11-16/h4-5,7-8,10-13H,3,6,9H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 51130208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).