4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide

C14H18N4O2 — CID 80543463

IUPAC4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
SMILESCC(CCN)C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-9(6-7-15)14(20)16-11-4-2-10(3-5-11)12-8-13(19)18-17-12/h2-5,8-9H,6-7,15H2,1H3,(H,16,20)(H2,17,18,19)
InChIKeyXIISXLZVAFNVTQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.29
Rot. Bonds5

About 4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide

4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide (PubChem CID 80543463) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
PubChem CID80543463
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
SMILESCC(CCN)C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-9(6-7-15)14(20)16-11-4-2-10(3-5-11)12-8-13(19)18-17-12/h2-5,8-9H,6-7,15H2,1H3,(H,16,20)(H2,17,18,19)
InChIKeyXIISXLZVAFNVTQ-UHFFFAOYSA-N
XLogP1.29
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide
CID 82013599
(2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 61180784
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide
CID 82850765
4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 43706888
3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 115426240
N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 60756455
N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
5-[4-(3-methylbutylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 43708921

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The IUPAC name of 4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide (CID 80543463) is 4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The canonical SMILES for 4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide is CC(CCN)C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of 4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The InChIKey is XIISXLZVAFNVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(6-7-15)14(20)16-11-4-2-10(3-5-11)12-8-13(19)18-17-12/h2-5,8-9H,6-7,15H2,1H3,(H,16,20)(H2,17,18,19).
What are the key properties of 4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide has a molecular weight of 274.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 80543463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).