(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide

C16H20FN3O — CID 96559898

IUPAC(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
SMILESC[C@H](CCc1cccc(F)c1)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C16H20FN3O/c1-12(6-7-13-4-3-5-15(17)8-13)16(21)18-9-14-10-19-20(2)11-14/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyZPNFKFTUDMJRAT-GFCCVEGCSA-N
MW289.35 g/mol
LogP2.44
Rot. Bonds6

About (2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide

(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide (PubChem CID 96559898) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
PubChem CID96559898
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
SMILESC[C@H](CCc1cccc(F)c1)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C16H20FN3O/c1-12(6-7-13-4-3-5-15(17)8-13)16(21)18-9-14-10-19-20(2)11-14/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyZPNFKFTUDMJRAT-GFCCVEGCSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide
CID 111477260
4-[[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]methyl]benzoic acid
CID 119165629
3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 91785576
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
2-[[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245359
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide
CID 120652249
1-[2-(3-fluorophenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457977
4-[3-(bromomethyl)-4-(3-fluorophenyl)butyl]-1-methylpyrazole
CID 103018495
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 71856953
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111286172
[4-methyl-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxopentan-2-yl]carbamic acid
CID 170170313
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of (2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide (CID 96559898) is (2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for (2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for (2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide is C[C@H](CCc1cccc(F)c1)C(=O)NCc1cnn(C)c1.
What is the InChIKey of (2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The InChIKey is ZPNFKFTUDMJRAT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12(6-7-13-4-3-5-15(17)8-13)16(21)18-9-14-10-19-20(2)11-14/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide has a molecular weight of 289.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 96559898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).