N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

C18H24N4O2 — CID 86823431

IUPACN-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCc1ccc(CNC(=O)CN(C)C(=O)C(C)n2cccn2)c(C)c1
InChIInChI=1S/C18H24N4O2/c1-13-6-7-16(14(2)10-13)11-19-17(23)12-21(4)18(24)15(3)22-9-5-8-20-22/h5-10,15H,11-12H2,1-4H3,(H,19,23)
InChIKeyODSOBIFDERVXIB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.84
Rot. Bonds6

About N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 86823431) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID86823431
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCc1ccc(CNC(=O)CN(C)C(=O)C(C)n2cccn2)c(C)c1
InChIInChI=1S/C18H24N4O2/c1-13-6-7-16(14(2)10-13)11-19-17(23)12-21(4)18(24)15(3)22-9-5-8-20-22/h5-10,15H,11-12H2,1-4H3,(H,19,23)
InChIKeyODSOBIFDERVXIB-UHFFFAOYSA-N
XLogP1.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86822678
N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119408371
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119549384
N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86829297
N-methyl-N-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 60523894
N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86853291
N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 86829312
N-[2-(dicyclopropylmethylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 87022204
N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86829133
(3R)-N-(2,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708020
N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119571531
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 86823431) is N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is Cc1ccc(CNC(=O)CN(C)C(=O)C(C)n2cccn2)c(C)c1.
What is the InChIKey of N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is ODSOBIFDERVXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-6-7-16(14(2)10-13)11-19-17(23)12-21(4)18(24)15(3)22-9-5-8-20-22/h5-10,15H,11-12H2,1-4H3,(H,19,23).
What are the key properties of N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 328.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 86823431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).