N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide

C21H24N4O — CID 131919574

IUPACN-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide
SMILESCc1cccc(NC(=O)CCNCc2cc(C)ccc2-n2cccn2)c1
InChIInChI=1S/C21H24N4O/c1-16-5-3-6-19(14-16)24-21(26)9-11-22-15-18-13-17(2)7-8-20(18)25-12-4-10-23-25/h3-8,10,12-14,22H,9,11,15H2,1-2H3,(H,24,26)
InChIKeyICNOSDIGVQNHRM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.61
Rot. Bonds7

About N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide

N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide (PubChem CID 131919574) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide
PubChem CID131919574
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide
SMILESCc1cccc(NC(=O)CCNCc2cc(C)ccc2-n2cccn2)c1
InChIInChI=1S/C21H24N4O/c1-16-5-3-6-19(14-16)24-21(26)9-11-22-15-18-13-17(2)7-8-20(18)25-12-4-10-23-25/h3-8,10,12-14,22H,9,11,15H2,1-2H3,(H,24,26)
InChIKeyICNOSDIGVQNHRM-UHFFFAOYSA-N
XLogP3.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
CID 131927376
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592
1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300273
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019663
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689
N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019724
N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide
CID 134713732
(3R)-N-(3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708082

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide (CID 131919574) is N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide is Cc1cccc(NC(=O)CCNCc2cc(C)ccc2-n2cccn2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide?
The InChIKey is ICNOSDIGVQNHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-5-3-6-19(14-16)24-21(26)9-11-22-15-18-13-17(2)7-8-20(18)25-12-4-10-23-25/h3-8,10,12-14,22H,9,11,15H2,1-2H3,(H,24,26).
What are the key properties of N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide?
N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 131919574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).