(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide

C24H26F2N4O2 — CID 70344960

IUPAC(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide
SMILESC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)Cc2ccccc2)[nH]n1
InChIInChI=1S/C24H26F2N4O2/c1-15(27-22(31)11-17-9-18(25)12-19(26)10-17)23(32)28-21-13-20(29-30-21)24(2,3)14-16-7-5-4-6-8-16/h4-10,12-13,15H,11,14H2,1-3H3,(H,27,31)(H2,28,29,30,32)/t15-/m0/s1
InChIKeyABIOVKAYYLDDNH-HNNXBMFYSA-N
MW440.49 g/mol
LogP3.89
Rot. Bonds8

About (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide (PubChem CID 70344960) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide
PubChem CID70344960
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide
SMILESC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)Cc2ccccc2)[nH]n1
InChIInChI=1S/C24H26F2N4O2/c1-15(27-22(31)11-17-9-18(25)12-19(26)10-17)23(32)28-21-13-20(29-30-21)24(2,3)14-16-7-5-4-6-8-16/h4-10,12-13,15H,11,14H2,1-3H3,(H,27,31)(H2,28,29,30,32)/t15-/m0/s1
InChIKeyABIOVKAYYLDDNH-HNNXBMFYSA-N
XLogP3.89
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.89
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)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide (CID 70344960) is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide is C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)Cc2ccccc2)[nH]n1.
What is the InChIKey of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is ABIOVKAYYLDDNH-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-15(27-22(31)11-17-9-18(25)12-19(26)10-17)23(32)28-21-13-20(29-30-21)24(2,3)14-16-7-5-4-6-8-16/h4-10,12-13,15H,11,14H2,1-3H3,(H,27,31)(H2,28,29,30,32)/t15-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide?
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 440.49 g/mol, XLogP of 3.89, 8 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)acetyl]amino]-N-[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 70344960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).