2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one

C15H19N3O — CID 60681815

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N(C)Cc1cnn(C)c1
InChIInChI=1S/C15H19N3O/c1-12(15(19)14-7-5-4-6-8-14)17(2)10-13-9-16-18(3)11-13/h4-9,11-12H,10H2,1-3H3
InChIKeyOTEFQEGSJCHGKA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.12
Rot. Bonds5

About 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one (PubChem CID 60681815) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
PubChem CID60681815
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N(C)Cc1cnn(C)c1
InChIInChI=1S/C15H19N3O/c1-12(15(19)14-7-5-4-6-8-14)17(2)10-13-9-16-18(3)11-13/h4-9,11-12H,10H2,1-3H3
InChIKeyOTEFQEGSJCHGKA-UHFFFAOYSA-N
XLogP2.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 62035251
(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 95772431
(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124506995
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
CID 86917229
N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
CID 51090804
5-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]furan-2-carboxylic acid
CID 79084792
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
3-[1-(2-methoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 75459929
N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 51266478
2-(2-methoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037061
1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 30302557

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one (CID 60681815) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one?
The InChIKey is OTEFQEGSJCHGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(15(19)14-7-5-4-6-8-14)17(2)10-13-9-16-18(3)11-13/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one is sourced from PubChem (CID 60681815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).