3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

C13H16N4O — CID 107273103

IUPAC3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2ccccc2N)n[nH]1
InChIInChI=1S/C13H16N4O/c1-9-8-12(17-16-9)15-13(18)7-6-10-4-2-3-5-11(10)14/h2-5,8H,6-7,14H2,1H3,(H2,15,16,17,18)
InChIKeyLQVBBYNMAGLMQC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.87
Rot. Bonds4

About 3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 107273103) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID107273103
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2ccccc2N)n[nH]1
InChIInChI=1S/C13H16N4O/c1-9-8-12(17-16-9)15-13(18)7-6-10-4-2-3-5-11(10)14/h2-5,8H,6-7,14H2,1H3,(H2,15,16,17,18)
InChIKeyLQVBBYNMAGLMQC-UHFFFAOYSA-N
XLogP1.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215990
3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride
CID 120611017
3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid
CID 167770709
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline
CID 82469557
3-(4-ethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215997
3-(4-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 110483845
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63820393

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 107273103) is 3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is Cc1cc(NC(=O)CCc2ccccc2N)n[nH]1.
What is the InChIKey of 3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is LQVBBYNMAGLMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-8-12(17-16-9)15-13(18)7-6-10-4-2-3-5-11(10)14/h2-5,8H,6-7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 107273103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).