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

C15H20N4O2 — CID 82013599

IUPAC5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide
SMILESCC(CN)CCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C15H20N4O2/c1-10(9-16)2-7-14(20)17-12-5-3-11(4-6-12)13-8-15(21)19-18-13/h3-6,8,10H,2,7,9,16H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyNDUNSZSKNMHKLL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.68
Rot. Bonds6

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

5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide (PubChem CID 82013599) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide
PubChem CID82013599
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide
SMILESCC(CN)CCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C15H20N4O2/c1-10(9-16)2-7-14(20)17-12-5-3-11(4-6-12)13-8-15(21)19-18-13/h3-6,8,10H,2,7,9,16H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyNDUNSZSKNMHKLL-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 80543463
N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 60756455
3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 115426240
5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide
CID 82011170
4-[(5-amino-4-methylpentanoyl)amino]benzoic acid
CID 82011492
5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
CID 82017203
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
5-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 82011452
5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
CID 82012714

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide (CID 82013599) is 5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide is CC(CN)CCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of 5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide?
The InChIKey is NDUNSZSKNMHKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(9-16)2-7-14(20)17-12-5-3-11(4-6-12)13-8-15(21)19-18-13/h3-6,8,10H,2,7,9,16H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide?
5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide has a molecular weight of 288.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide is sourced from PubChem (CID 82013599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).