2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide

C22H22F2N4O2 — CID 10024652

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide
SMILESCCc1ccc(-c2cc(NC(=O)C(C)NC(=O)Cc3cc(F)cc(F)c3)n[nH]2)cc1
InChIInChI=1S/C22H22F2N4O2/c1-3-14-4-6-16(7-5-14)19-12-20(28-27-19)26-22(30)13(2)25-21(29)10-15-8-17(23)11-18(24)9-15/h4-9,11-13H,3,10H2,1-2H3,(H,25,29)(H2,26,27,28,30)
InChIKeyKELXZCCKNMJIMZ-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.60
Rot. Bonds7

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide (PubChem CID 10024652) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide
PubChem CID10024652
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide
SMILESCCc1ccc(-c2cc(NC(=O)C(C)NC(=O)Cc3cc(F)cc(F)c3)n[nH]2)cc1
InChIInChI=1S/C22H22F2N4O2/c1-3-14-4-6-16(7-5-14)19-12-20(28-27-19)26-22(30)13(2)25-21(29)10-15-8-17(23)11-18(24)9-15/h4-9,11-13H,3,10H2,1-2H3,(H,25,29)(H2,26,27,28,30)
InChIKeyKELXZCCKNMJIMZ-UHFFFAOYSA-N
XLogP3.60
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide (CID 10024652) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide is CCc1ccc(-c2cc(NC(=O)C(C)NC(=O)Cc3cc(F)cc(F)c3)n[nH]2)cc1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is KELXZCCKNMJIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c1-3-14-4-6-16(7-5-14)19-12-20(28-27-19)26-22(30)13(2)25-21(29)10-15-8-17(23)11-18(24)9-15/h4-9,11-13H,3,10H2,1-2H3,(H,25,29)(H2,26,27,28,30).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 412.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 10024652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).