(2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide

C15H19FN4O — CID 95295040

IUPAC(2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
SMILESCc1cnn(C[C@H](C)N[C@H](C(N)=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H19FN4O/c1-10-7-18-20(8-10)9-11(2)19-14(15(17)21)12-3-5-13(16)6-4-12/h3-8,11,14,19H,9H2,1-2H3,(H2,17,21)/t11-,14-/m0/s1
InChIKeyFPAOVJXGFGPEFG-FZMZJTMJSA-N
MW290.34 g/mol
LogP1.54
Rot. Bonds6

About (2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide

(2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide (PubChem CID 95295040) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
PubChem CID95295040
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name(2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
SMILESCc1cnn(C[C@H](C)N[C@H](C(N)=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H19FN4O/c1-10-7-18-20(8-10)9-11(2)19-14(15(17)21)12-3-5-13(16)6-4-12/h3-8,11,14,19H,9H2,1-2H3,(H2,17,21)/t11-,14-/m0/s1
InChIKeyFPAOVJXGFGPEFG-FZMZJTMJSA-N
XLogP1.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide (CID 95295040) is (2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide is Cc1cnn(C[C@H](C)N[C@H](C(N)=O)c2ccc(F)cc2)c1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The InChIKey is FPAOVJXGFGPEFG-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-10-7-18-20(8-10)9-11(2)19-14(15(17)21)12-3-5-13(16)6-4-12/h3-8,11,14,19H,9H2,1-2H3,(H2,17,21)/t11-,14-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
(2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide has a molecular weight of 290.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 95295040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).