3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide

C15H20N4O — CID 107463077

IUPAC3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
SMILESCCc1nn(C)cc1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-13-14(10-19(2)18-13)17-15(20)9-12(16)11-7-5-4-6-8-11/h4-8,10,12H,3,9,16H2,1-2H3,(H,17,20)
InChIKeyLJKHEYPIKSLSRN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.01
Rot. Bonds5

About 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide (PubChem CID 107463077) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
PubChem CID107463077
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
SMILESCCc1nn(C)cc1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-13-14(10-19(2)18-13)17-15(20)9-12(16)11-7-5-4-6-8-11/h4-8,10,12H,3,9,16H2,1-2H3,(H,17,20)
InChIKeyLJKHEYPIKSLSRN-UHFFFAOYSA-N
XLogP2.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methoxypropanamide
CID 107463127
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
CID 119953282
2-amino-N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]acetamide
CID 107463145
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
CID 24695343
N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide
CID 119950525
2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463211

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide (CID 107463077) is 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide is CCc1nn(C)cc1NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide?
The InChIKey is LJKHEYPIKSLSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13-14(10-19(2)18-13)17-15(20)9-12(16)11-7-5-4-6-8-11/h4-8,10,12H,3,9,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide?
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 107463077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).