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

C15H20N4O2 — CID 82850765

IUPAC5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C15H20N4O2/c1-10(16)3-2-4-14(20)17-12-7-5-11(6-8-12)13-9-15(21)19-18-13/h5-10H,2-4,16H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyBSYYMOHYNGNFPP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.83
Rot. Bonds6

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

5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide (PubChem CID 82850765) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide
PubChem CID82850765
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C15H20N4O2/c1-10(16)3-2-4-14(20)17-12-7-5-11(6-8-12)13-9-15(21)19-18-13/h5-10H,2-4,16H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyBSYYMOHYNGNFPP-UHFFFAOYSA-N
XLogP1.83
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.83
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
4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 43706888
4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 79201501
N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 60756455
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 80543463
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide?
The IUPAC name of 5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide (CID 82850765) is 5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide.
What is the SMILES notation for 5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide?
The canonical SMILES for 5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide is CC(N)CCCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of 5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide?
The InChIKey is BSYYMOHYNGNFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(16)3-2-4-14(20)17-12-7-5-11(6-8-12)13-9-15(21)19-18-13/h5-10H,2-4,16H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide?
5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide has a molecular weight of 288.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide is sourced from PubChem (CID 82850765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).