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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Related Compounds

3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(4-methoxybenzyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3242934
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
3-[5-[(4aR,8aS)-4-oxo-3-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]-N-[(1-methylpyrazol-4-yl)methyl]prop-2-ynamide
CID 155514145
(1R)-7-ethoxy-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1H-3-benzazepin-2-one
CID 168298613
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide
CID 3236180
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 3238161
3,4-Dimethoxy-N-(1-methyl-1H-pyrazol-4-yl)benzeneacetamide
CID 32610757
2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 35281821
US10617680, Example 191
CID 135355518
N-[(2-Ethoxyphenyl)methyl]-3-(1H-pyrazol-1-YL)propanamide
CID 16026464
1-(3-methoxybenzyl)-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24790803
N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24791711

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).