N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide

C13H23N3O2S — CID 118790764

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide
SMILESCSCCC(O)C(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)11-7-9(15-16-11)8-14-12(18)10(17)5-6-19-4/h7,10,17H,5-6,8H2,1-4H3,(H,14,18)(H,15,16)
InChIKeyLPNKVSHHZSVLTK-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.44
Rot. Bonds6

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide (PubChem CID 118790764) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide
PubChem CID118790764
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide
SMILESCSCCC(O)C(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)11-7-9(15-16-11)8-14-12(18)10(17)5-6-19-4/h7,10,17H,5-6,8H2,1-4H3,(H,14,18)(H,15,16)
InChIKeyLPNKVSHHZSVLTK-UHFFFAOYSA-N
XLogP1.44
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-chloroacetamide
CID 166430893
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97207810
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 137098597
3-(3-tert-butyl-1H-pyrazol-5-yl)-2-methylpropanoic acid
CID 112710278
(2R)-2-hydroxy-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-4-methylsulfanylbutanamide
CID 136864153
2-hydroxy-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-4-methylsulfanylbutanamide
CID 136665349
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 118775393
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 66644459
(3R,6S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(dimethylamino)-1-methylazepane-3-carboxamide
CID 165423758
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 118761743
tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate
CID 59637276
1-(2,1,3-benzothiadiazol-4-yl)-3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]urea
CID 72867569

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide (CID 118790764) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide is CSCCC(O)C(=O)NCc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide?
The InChIKey is LPNKVSHHZSVLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2,3)11-7-9(15-16-11)8-14-12(18)10(17)5-6-19-4/h7,10,17H,5-6,8H2,1-4H3,(H,14,18)(H,15,16).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide has a molecular weight of 285.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide is sourced from PubChem (CID 118790764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).