3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide

C20H22N4O2 — CID 90555638

IUPAC3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-24-19(18-5-3-4-12-21-18)13-16(23-24)14-22-20(25)11-8-15-6-9-17(26-2)10-7-15/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,22,25)
InChIKeyCQESIUVAKHWUDX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.74
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide (PubChem CID 90555638) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
PubChem CID90555638
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-24-19(18-5-3-4-12-21-18)13-16(23-24)14-22-20(25)11-8-15-6-9-17(26-2)10-7-15/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,22,25)
InChIKeyCQESIUVAKHWUDX-UHFFFAOYSA-N
XLogP2.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555827
2-benzylsulfanyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797633
2-(2,4-dichlorophenoxy)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797643
1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555843
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 90555700
3-(4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)propanamide
CID 110718948
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19328839
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]prop-2-enamide
CID 71797641
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide (CID 90555638) is 3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide is COc1ccc(CCC(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide?
The InChIKey is CQESIUVAKHWUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24-19(18-5-3-4-12-21-18)13-16(23-24)14-22-20(25)11-8-15-6-9-17(26-2)10-7-15/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,22,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 90555638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).