(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide

C15H19N3O2 — CID 92708150

IUPAC(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCOc1cccc(NC(=O)C[C@H](C)n2ccc(C)n2)c1
InChIInChI=1S/C15H19N3O2/c1-11-7-8-18(17-11)12(2)9-15(19)16-13-5-4-6-14(10-13)20-3/h4-8,10,12H,9H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyHSPZOLXAYAHDEN-LBPRGKRZSA-N
MW273.34 g/mol
LogP2.79
Rot. Bonds5

About (3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide

(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide (PubChem CID 92708150) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
PubChem CID92708150
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCOc1cccc(NC(=O)C[C@H](C)n2ccc(C)n2)c1
InChIInChI=1S/C15H19N3O2/c1-11-7-8-18(17-11)12(2)9-15(19)16-13-5-4-6-14(10-13)20-3/h4-8,10,12H,9H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyHSPZOLXAYAHDEN-LBPRGKRZSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708151
(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92708147
(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708194
(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide
CID 92749514
(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339700
N-(3-methoxyphenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905462
(3R)-N-(3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708082
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenoxy]acetic acid
CID 119224731

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The IUPAC name of (3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide (CID 92708150) is (3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide is COc1cccc(NC(=O)C[C@H](C)n2ccc(C)n2)c1.
What is the InChIKey of (3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The InChIKey is HSPZOLXAYAHDEN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-7-8-18(17-11)12(2)9-15(19)16-13-5-4-6-14(10-13)20-3/h4-8,10,12H,9H2,1-3H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide has a molecular weight of 273.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 92708150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).