2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide

C14H18N4O — CID 63338077

IUPAC2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cc(-c2ccccc2N)cn1
InChIInChI=1S/C14H18N4O/c1-3-16-14(19)10(2)18-9-11(8-17-18)12-6-4-5-7-13(12)15/h4-10H,3,15H2,1-2H3,(H,16,19)
InChIKeyCZFFENRZHOOIPB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.83
Rot. Bonds4

About 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide

2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide (PubChem CID 63338077) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
PubChem CID63338077
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cc(-c2ccccc2N)cn1
InChIInChI=1S/C14H18N4O/c1-3-16-14(19)10(2)18-9-11(8-17-18)12-6-4-5-7-13(12)15/h4-10H,3,15H2,1-2H3,(H,16,19)
InChIKeyCZFFENRZHOOIPB-UHFFFAOYSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 110210706
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 100830781
2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide
CID 165472875
3-[4-(2-aminophenyl)pyrazol-1-yl]-2,2-dimethylpropanoic acid
CID 79624811
2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 102547350
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63338520
N-benzyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanamide
CID 57477866
4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344274
2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
CID 60910688
N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide?
The IUPAC name of 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide (CID 63338077) is 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide?
The canonical SMILES for 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide is CCNC(=O)C(C)n1cc(-c2ccccc2N)cn1.
What is the InChIKey of 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide?
The InChIKey is CZFFENRZHOOIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-16-14(19)10(2)18-9-11(8-17-18)12-6-4-5-7-13(12)15/h4-10H,3,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide?
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 63338077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).