4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride

C16H23ClN4O2 — CID 120593675

IUPAC4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)c1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-12(19-16(21)10-15(11-17)22-2)13-4-6-14(7-5-13)20-9-3-8-18-20;/h3-9,12,15H,10-11,17H2,1-2H3,(H,19,21);1H
InChIKeyWMEFJOFVLAJSAC-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.84
Rot. Bonds7

About 4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride (PubChem CID 120593675) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
PubChem CID120593675
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)c1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-12(19-16(21)10-15(11-17)22-2)13-4-6-14(7-5-13)20-9-3-8-18-20;/h3-9,12,15H,10-11,17H2,1-2H3,(H,19,21);1H
InChIKeyWMEFJOFVLAJSAC-UHFFFAOYSA-N
XLogP1.84
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587047
2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 111540891
4-amino-3-methoxy-N-(2-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120586313
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021
4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120935805
4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
CID 103156393
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
CID 120589757

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride (CID 120593675) is 4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride is COC(CN)CC(=O)NC(C)c1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride?
The InChIKey is WMEFJOFVLAJSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-12(19-16(21)10-15(11-17)22-2)13-4-6-14(7-5-13)20-9-3-8-18-20;/h3-9,12,15H,10-11,17H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 120593675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).