N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide

C19H21N5O — CID 84613542

IUPACN-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccn2)c(C)c1CCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C19H21N5O/c1-13-17(14(2)24(23-13)18-8-3-4-11-21-18)9-10-19(25)22-16-7-5-6-15(20)12-16/h3-8,11-12H,9-10,20H2,1-2H3,(H,22,25)
InChIKeyATYHJBWGWIRLQU-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.04
Rot. Bonds5

About N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide

N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide (PubChem CID 84613542) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide
PubChem CID84613542
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccn2)c(C)c1CCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C19H21N5O/c1-13-17(14(2)24(23-13)18-8-3-4-11-21-18)9-10-19(25)22-16-7-5-6-15(20)12-16/h3-8,11-12H,9-10,20H2,1-2H3,(H,22,25)
InChIKeyATYHJBWGWIRLQU-UHFFFAOYSA-N
XLogP3.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 91629292
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 53009115
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 53069490
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 53069430
3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 53069666
N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9141969
N-(3,4-dimethylphenyl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9039927
N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
CID 53009094
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxochromene-2-carboxamide
CID 91629299
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
N-[3-(methoxymethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 32639084
methyl 4-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]benzoate
CID 9068843

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide (CID 84613542) is N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide is Cc1nn(-c2ccccn2)c(C)c1CCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide?
The InChIKey is ATYHJBWGWIRLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-17(14(2)24(23-13)18-8-3-4-11-21-18)9-10-19(25)22-16-7-5-6-15(20)12-16/h3-8,11-12H,9-10,20H2,1-2H3,(H,22,25).
What are the key properties of N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide?
N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide is sourced from PubChem (CID 84613542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).