3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide

C16H22N4O — CID 120501837

IUPAC3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
SMILESCC(NC(=O)C(C)C(C)N)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H22N4O/c1-11(12(2)17)16(21)19-13(3)14-5-7-15(8-6-14)20-10-4-9-18-20/h4-13H,17H2,1-3H3,(H,19,21)
InChIKeyFAUXWQXRGOLOCR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.03
Rot. Bonds5

About 3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide

3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (PubChem CID 120501837) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
PubChem CID120501837
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
SMILESCC(NC(=O)C(C)C(C)N)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H22N4O/c1-11(12(2)17)16(21)19-13(3)14-5-7-15(8-6-14)20-10-4-9-18-20/h4-13H,17H2,1-3H3,(H,19,21)
InChIKeyFAUXWQXRGOLOCR-UHFFFAOYSA-N
XLogP2.03
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504201
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
(2R,3R)-4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 70329293
1-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 96518673
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 120873593
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111509387
2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 111540891
(3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanediamide
CID 71188262
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (CID 120501837) is 3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is CC(NC(=O)C(C)C(C)N)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The InChIKey is FAUXWQXRGOLOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(12(2)17)16(21)19-13(3)14-5-7-15(8-6-14)20-10-4-9-18-20/h4-13H,17H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide has a molecular weight of 286.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 120501837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).