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

C21H22FN3O — CID 99716294

IUPAC(2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide
SMILESCC[C@@H](C(=O)NCc1cn(C)nc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O/c1-3-19(15-9-11-18(22)12-10-15)21(26)23-13-17-14-25(2)24-20(17)16-7-5-4-6-8-16/h4-12,14,19H,3,13H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyPTPYQHCPRAGRHT-LJQANCHMSA-N
MW351.43 g/mol
LogP4.04
Rot. Bonds6

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

(2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide (PubChem CID 99716294) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide
PubChem CID99716294
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name(2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide
SMILESCC[C@@H](C(=O)NCc1cn(C)nc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O/c1-3-19(15-9-11-18(22)12-10-15)21(26)23-13-17-14-25(2)24-20(17)16-7-5-4-6-8-16/h4-12,14,19H,3,13H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyPTPYQHCPRAGRHT-LJQANCHMSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide
CID 75519838
4-[(1-methyl-3-phenylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 122009577
(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide
CID 124595049
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide
CID 90547365
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide
CID 122262795
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide
CID 79524022
4-fluoro-3-[[(1-methyl-3-phenylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 166226863
2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide
CID 110353349
(2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide
CID 99759367
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296296
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea
CID 75519712

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide (CID 99716294) is (2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide is CC[C@@H](C(=O)NCc1cn(C)nc1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide?
The InChIKey is PTPYQHCPRAGRHT-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-3-19(15-9-11-18(22)12-10-15)21(26)23-13-17-14-25(2)24-20(17)16-7-5-4-6-8-16/h4-12,14,19H,3,13H2,1-2H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide?
(2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide has a molecular weight of 351.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 99716294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).