(2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

C20H20F2N4O — CID 11574248

IUPAC(2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESC[C@H](NCCc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H20F2N4O/c1-13(23-8-7-14-9-16(21)11-17(22)10-14)20(27)24-19-12-18(25-26-19)15-5-3-2-4-6-15/h2-6,9-13,23H,7-8H2,1H3,(H2,24,25,26,27)/t13-/m0/s1
InChIKeyPQVIGIIEUGJCJI-ZDUSSCGKSA-N
MW370.40 g/mol
LogP3.51
Rot. Bonds7

About (2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

(2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (PubChem CID 11574248) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is (2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
PubChem CID11574248
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name(2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESC[C@H](NCCc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H20F2N4O/c1-13(23-8-7-14-9-16(21)11-17(22)10-14)20(27)24-19-12-18(25-26-19)15-5-3-2-4-6-15/h2-6,9-13,23H,7-8H2,1H3,(H2,24,25,26,27)/t13-/m0/s1
InChIKeyPQVIGIIEUGJCJI-ZDUSSCGKSA-N
XLogP3.51
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (CID 11574248) is (2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is C[C@H](NCCc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of (2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is PQVIGIIEUGJCJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-13(23-8-7-14-9-16(21)11-17(22)10-14)20(27)24-19-12-18(25-26-19)15-5-3-2-4-6-15/h2-6,9-13,23H,7-8H2,1H3,(H2,24,25,26,27)/t13-/m0/s1.
What are the key properties of (2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
(2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 370.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 11574248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).