3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide

C13H16N4O — CID 61284267

IUPAC3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESNc1ccc(CCC(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C13H16N4O/c14-11-4-1-10(2-5-11)3-6-13(18)15-9-12-7-8-16-17-12/h1-2,4-5,7-8H,3,6,9,14H2,(H,15,18)(H,16,17)
InChIKeyMOGAWGKAFSMSOK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.24
Rot. Bonds5

About 3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide

3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 61284267) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID61284267
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESNc1ccc(CCC(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C13H16N4O/c14-11-4-1-10(2-5-11)3-6-13(18)15-9-12-7-8-16-17-12/h1-2,4-5,7-8H,3,6,9,14H2,(H,15,18)(H,16,17)
InChIKeyMOGAWGKAFSMSOK-UHFFFAOYSA-N
XLogP1.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285698
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 62500320
6-oxo-6-(1H-pyrazol-5-ylmethylamino)hexanoic acid
CID 61286078
1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 112558317
5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 61285695
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284266
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 61284267) is 3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide is Nc1ccc(CCC(=O)NCc2ccn[nH]2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is MOGAWGKAFSMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-11-4-1-10(2-5-11)3-6-13(18)15-9-12-7-8-16-17-12/h1-2,4-5,7-8H,3,6,9,14H2,(H,15,18)(H,16,17).
What are the key properties of 3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 61284267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).