N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

C21H30N4O2 — CID 86829297

IUPACN-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)CC(=O)NCCc1ccc(C(C)(C)C)cc1)n1cccn1
InChIInChI=1S/C21H30N4O2/c1-16(25-14-6-12-23-25)20(27)24(5)15-19(26)22-13-11-17-7-9-18(10-8-17)21(2,3)4/h6-10,12,14,16H,11,13,15H2,1-5H3,(H,22,26)
InChIKeyIVEUYAVSDIJLSZ-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.56
Rot. Bonds7

About N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 86829297) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID86829297
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)CC(=O)NCCc1ccc(C(C)(C)C)cc1)n1cccn1
InChIInChI=1S/C21H30N4O2/c1-16(25-14-6-12-23-25)20(27)24(5)15-19(26)22-13-11-17-7-9-18(10-8-17)21(2,3)4/h6-10,12,14,16H,11,13,15H2,1-5H3,(H,22,26)
InChIKeyIVEUYAVSDIJLSZ-UHFFFAOYSA-N
XLogP2.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119549384
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-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86823431
(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide
CID 92708028
N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 86829312
N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119571531
N-[2-(dicyclopropylmethylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 87022204
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide
CID 134048943
N-methyl-N-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 60523894
N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide
CID 86788485
3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 60988614

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 86829297) is N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is CC(C(=O)N(C)CC(=O)NCCc1ccc(C(C)(C)C)cc1)n1cccn1.
What is the InChIKey of N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is IVEUYAVSDIJLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(25-14-6-12-23-25)20(27)24(5)15-19(26)22-13-11-17-7-9-18(10-8-17)21(2,3)4/h6-10,12,14,16H,11,13,15H2,1-5H3,(H,22,26).
What are the key properties of N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 370.50 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 86829297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).