2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide

C15H20N4O — CID 102805533

IUPAC2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
SMILESCc1nn(C)cc1NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C15H20N4O/c1-11-14(10-19(2)18-11)17-15(20)13(16)9-8-12-6-4-3-5-7-12/h3-7,10,13H,8-9,16H2,1-2H3,(H,17,20)
InChIKeyODSJXRHLCIKENU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.63
Rot. Bonds5

About 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide

2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide (PubChem CID 102805533) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
PubChem CID102805533
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
SMILESCc1nn(C)cc1NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C15H20N4O/c1-11-14(10-19(2)18-11)17-15(20)13(16)9-8-12-6-4-3-5-7-12/h3-7,10,13H,8-9,16H2,1-2H3,(H,17,20)
InChIKeyODSJXRHLCIKENU-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522
(2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide
CID 104984683
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
CID 102805405
(2S)-2-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 104984259
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
CID 104984023
(2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide
CID 104984517
(2S)-2-amino-N-(4-iodo-2-methylphenyl)-4-phenylbutanamide
CID 104983994
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
CID 114929424
(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
CID 104984746

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide (CID 102805533) is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide is Cc1nn(C)cc1NC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide?
The InChIKey is ODSJXRHLCIKENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-14(10-19(2)18-11)17-15(20)13(16)9-8-12-6-4-3-5-7-12/h3-7,10,13H,8-9,16H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide?
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide has a molecular weight of 272.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide is sourced from PubChem (CID 102805533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).