2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride

C17H24ClN5O2 — CID 119768018

IUPAC2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-3-12(2)16(18)17(24)19-11-15(23)21-13-5-7-14(8-6-13)22-10-4-9-20-22;/h4-10,12,16H,3,11,18H2,1-2H3,(H,19,24)(H,21,23);1H
InChIKeyHQNLOBLRQVUGCH-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.72
Rot. Bonds7

About 2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride (PubChem CID 119768018) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
PubChem CID119768018
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-3-12(2)16(18)17(24)19-11-15(23)21-13-5-7-14(8-6-13)22-10-4-9-20-22;/h4-10,12,16H,3,11,18H2,1-2H3,(H,19,24)(H,21,23);1H
InChIKeyHQNLOBLRQVUGCH-UHFFFAOYSA-N
XLogP1.72
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119314524
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
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 110745069
4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride (CID 119768018) is 2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
The InChIKey is HQNLOBLRQVUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-3-12(2)16(18)17(24)19-11-15(23)21-13-5-7-14(8-6-13)22-10-4-9-20-22;/h4-10,12,16H,3,11,18H2,1-2H3,(H,19,24)(H,21,23);1H.
What are the key properties of 2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119768018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).