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

C16H22ClN5O2 — CID 119314524

IUPAC2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C16H21N5O2.ClH/c1-2-4-14(17)16(23)18-11-15(22)20-12-5-7-13(8-6-12)21-10-3-9-19-21;/h3,5-10,14H,2,4,11,17H2,1H3,(H,18,23)(H,20,22);1H
InChIKeyGMGYZOUNQVVMAB-UHFFFAOYSA-N
MW351.84 g/mol
LogP1.48
Rot. Bonds7

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

2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride (PubChem CID 119314524) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
PubChem CID119314524
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C16H21N5O2.ClH/c1-2-4-14(17)16(23)18-11-15(22)20-12-5-7-13(8-6-12)21-10-3-9-19-21;/h3,5-10,14H,2,4,11,17H2,1H3,(H,18,23)(H,20,22);1H
InChIKeyGMGYZOUNQVVMAB-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

2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119768018
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 120562017
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide
CID 120562018
2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide
CID 119308727
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
3-amino-4-oxo-4-(4-pyrazol-1-ylanilino)butanoic acid
CID 64895291
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 110745069
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide
CID 103795568
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride (CID 119314524) is 2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
The InChIKey is GMGYZOUNQVVMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.ClH/c1-2-4-14(17)16(23)18-11-15(22)20-12-5-7-13(8-6-12)21-10-3-9-19-21;/h3,5-10,14H,2,4,11,17H2,1H3,(H,18,23)(H,20,22);1H.
What are the key properties of 2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
2-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 2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119314524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).