3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C15H19N3O2 — CID 1244077

IUPAC3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cnn(C)c2)cc1
InChIInChI=1S/C15H19N3O2/c1-18-11-13(10-17-18)9-16-15(19)8-5-12-3-6-14(20-2)7-4-12/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,19)
InChIKeyPCLLSOPXYTZHDL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.68
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 1244077) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID1244077
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cnn(C)c2)cc1
InChIInChI=1S/C15H19N3O2/c1-18-11-13(10-17-18)9-16-15(19)8-5-12-3-6-14(20-2)7-4-12/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,19)
InChIKeyPCLLSOPXYTZHDL-UHFFFAOYSA-N
XLogP1.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 1244077) is 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide is COc1ccc(CCC(=O)NCc2cnn(C)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is PCLLSOPXYTZHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-11-13(10-17-18)9-16-15(19)8-5-12-3-6-14(20-2)7-4-12/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,19).
What are the key properties of 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 1244077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).