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

C23H23F3N4O2 — CID 70914072

IUPAC(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide
SMILESC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)c2ccccc2F)[nH]n1
InChIInChI=1S/C23H23F3N4O2/c1-13(27-21(31)10-14-8-15(24)11-16(25)9-14)22(32)28-20-12-19(29-30-20)23(2,3)17-6-4-5-7-18(17)26/h4-9,11-13H,10H2,1-3H3,(H,27,31)(H2,28,29,30,32)/t13-/m0/s1
InChIKeyBFMAWDHEGKLWGA-ZDUSSCGKSA-N
MW444.46 g/mol
LogP3.84
Rot. Bonds7

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

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide (PubChem CID 70914072) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide
PubChem CID70914072
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide
SMILESC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)c2ccccc2F)[nH]n1
InChIInChI=1S/C23H23F3N4O2/c1-13(27-21(31)10-14-8-15(24)11-16(25)9-14)22(32)28-20-12-19(29-30-20)23(2,3)17-6-4-5-7-18(17)26/h4-9,11-13H,10H2,1-3H3,(H,27,31)(H2,28,29,30,32)/t13-/m0/s1
InChIKeyBFMAWDHEGKLWGA-ZDUSSCGKSA-N
XLogP3.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.84
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-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide (CID 70914072) is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide is C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)c2ccccc2F)[nH]n1.
What is the InChIKey of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide?
The InChIKey is BFMAWDHEGKLWGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-13(27-21(31)10-14-8-15(24)11-16(25)9-14)22(32)28-20-12-19(29-30-20)23(2,3)17-6-4-5-7-18(17)26/h4-9,11-13H,10H2,1-3H3,(H,27,31)(H2,28,29,30,32)/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide?
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide has a molecular weight of 444.46 g/mol, XLogP of 3.84, 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)acetyl]amino]-N-[5-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 70914072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).