(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide

C17H18F2N4O3 — CID 59385428

IUPAC(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide
SMILESC[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H18F2N4O3/c1-8(16(25)21-14-7-13(22-23-14)9-2-3-9)20-17(26)15(24)10-4-11(18)6-12(19)5-10/h4-9,15,24H,2-3H2,1H3,(H,20,26)(H2,21,22,23,25)/t8-,15-/m0/s1
InChIKeyYSZYAPQALRXOEA-AYVTZFPOSA-N
MW364.35 g/mol
LogP1.74
Rot. Bonds6

About (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide

(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide (PubChem CID 59385428) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide
PubChem CID59385428
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide
SMILESC[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H18F2N4O3/c1-8(16(25)21-14-7-13(22-23-14)9-2-3-9)20-17(26)15(24)10-4-11(18)6-12(19)5-10/h4-9,15,24H,2-3H2,1H3,(H,20,26)(H2,21,22,23,25)/t8-,15-/m0/s1
InChIKeyYSZYAPQALRXOEA-AYVTZFPOSA-N
XLogP1.74
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide?
The IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide (CID 59385428) is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide?
The canonical SMILES for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide is C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide?
The InChIKey is YSZYAPQALRXOEA-AYVTZFPOSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-8(16(25)21-14-7-13(22-23-14)9-2-3-9)20-17(26)15(24)10-4-11(18)6-12(19)5-10/h4-9,15,24H,2-3H2,1H3,(H,20,26)(H2,21,22,23,25)/t8-,15-/m0/s1.
What are the key properties of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide?
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide has a molecular weight of 364.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide is sourced from PubChem (CID 59385428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).