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

C22H24F2N4O — CID 11429435

IUPAC(2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
SMILESCCC[C@H](NCCc1cccc(F)c1F)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C22H24F2N4O/c1-2-7-18(25-13-12-16-10-6-11-17(23)21(16)24)22(29)26-20-14-19(27-28-20)15-8-4-3-5-9-15/h3-6,8-11,14,18,25H,2,7,12-13H2,1H3,(H2,26,27,28,29)/t18-/m0/s1
InChIKeyAKPCJYAEPDEOPG-SFHVURJKSA-N
MW398.46 g/mol
LogP4.29
Rot. Bonds9

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

(2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide (PubChem CID 11429435) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is (2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
PubChem CID11429435
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name(2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
SMILESCCC[C@H](NCCc1cccc(F)c1F)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C22H24F2N4O/c1-2-7-18(25-13-12-16-10-6-11-17(23)21(16)24)22(29)26-20-14-19(27-28-20)15-8-4-3-5-9-15/h3-6,8-11,14,18,25H,2,7,12-13H2,1H3,(H2,26,27,28,29)/t18-/m0/s1
InChIKeyAKPCJYAEPDEOPG-SFHVURJKSA-N
XLogP4.29
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of (2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide (CID 11429435) is (2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for (2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for (2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide is CCC[C@H](NCCc1cccc(F)c1F)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of (2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is AKPCJYAEPDEOPG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-2-7-18(25-13-12-16-10-6-11-17(23)21(16)24)22(29)26-20-14-19(27-28-20)15-8-4-3-5-9-15/h3-6,8-11,14,18,25H,2,7,12-13H2,1H3,(H2,26,27,28,29)/t18-/m0/s1.
What are the key properties of (2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
(2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 398.46 g/mol, XLogP of 4.29, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 11429435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).