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

C16H21N3O — CID 62035251

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C16H21N3O/c1-12-5-7-15(8-6-12)16(20)13(2)18(3)10-14-9-17-19(4)11-14/h5-9,11,13H,10H2,1-4H3
InChIKeySRJBHSCUBQCDJZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds5

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

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 62035251) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
PubChem CID62035251
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C16H21N3O/c1-12-5-7-15(8-6-12)16(20)13(2)18(3)10-14-9-17-19(4)11-14/h5-9,11,13H,10H2,1-4H3
InChIKeySRJBHSCUBQCDJZ-UHFFFAOYSA-N
XLogP2.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815
(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124506995
N-methyl-2-(4-methylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 17376901
1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207733
(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 95772431
4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
CID 45174095
2-[methyl-[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82476146
5-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]furan-2-carboxylic acid
CID 79084792
N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 51266547
(2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31852932
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 63273720

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one (CID 62035251) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)N(C)Cc2cnn(C)c2)cc1.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is SRJBHSCUBQCDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-5-7-15(8-6-12)16(20)13(2)18(3)10-14-9-17-19(4)11-14/h5-9,11,13H,10H2,1-4H3.
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 271.36 g/mol, XLogP of 2.43, 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-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62035251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).