N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide

C15H19N3O2 — CID 86917229

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C15H19N3O2/c1-12(20-14-7-5-4-6-8-14)15(19)17(2)10-13-9-16-18(3)11-13/h4-9,11-12H,10H2,1-3H3
InChIKeyYWEUPRGZSUFJEB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide (PubChem CID 86917229) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
PubChem CID86917229
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C15H19N3O2/c1-12(20-14-7-5-4-6-8-14)15(19)17(2)10-13-9-16-18(3)11-13/h4-9,11-12H,10H2,1-3H3
InChIKeyYWEUPRGZSUFJEB-UHFFFAOYSA-N
XLogP1.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950804
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
(2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 95625411
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 97193399
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 30302557
N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 134028542
(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 31852023
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide (CID 86917229) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide?
The InChIKey is YWEUPRGZSUFJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12(20-14-7-5-4-6-8-14)15(19)17(2)10-13-9-16-18(3)11-13/h4-9,11-12H,10H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 86917229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).