4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride

C16H22ClN5O2 — CID 120562017

IUPAC4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C16H21N5O2.ClH/c1-12(17)3-8-15(22)18-11-16(23)20-13-4-6-14(7-5-13)21-10-2-9-19-21;/h2,4-7,9-10,12H,3,8,11,17H2,1H3,(H,18,22)(H,20,23);1H
InChIKeyZQCLCADGEAUAEH-UHFFFAOYSA-N
MW351.84 g/mol
LogP1.48
Rot. Bonds7

About 4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride

4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride (PubChem CID 120562017) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
PubChem CID120562017
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C16H21N5O2.ClH/c1-12(17)3-8-15(22)18-11-16(23)20-13-4-6-14(7-5-13)21-10-2-9-19-21;/h2,4-7,9-10,12H,3,8,11,17H2,1H3,(H,18,22)(H,20,23);1H
InChIKeyZQCLCADGEAUAEH-UHFFFAOYSA-N
XLogP1.48
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide
CID 120562018
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119314524
2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119768018
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 110745069
3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide
CID 51133173
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813
4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 55980228
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide
CID 120561379

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride (CID 120562017) is 4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride is CC(N)CCC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of 4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
The InChIKey is ZQCLCADGEAUAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.ClH/c1-12(17)3-8-15(22)18-11-16(23)20-13-4-6-14(7-5-13)21-10-2-9-19-21;/h2,4-7,9-10,12H,3,8,11,17H2,1H3,(H,18,22)(H,20,23);1H.
What are the key properties of 4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride has a molecular weight of 351.84 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 120562017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).