2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide

C25H26F2N4O3 — CID 10027623

IUPAC2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESO=C(NC(C(=O)Nc1cc(-c2ccccc2)[nH]n1)C1CCCCC1)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C25H26F2N4O3/c26-18-11-17(12-19(27)13-18)23(32)25(34)29-22(16-9-5-2-6-10-16)24(33)28-21-14-20(30-31-21)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16,22-23,32H,2,5-6,9-10H2,(H,29,34)(H2,28,30,31,33)
InChIKeyRNVHWGBMNRIUEW-UHFFFAOYSA-N
MW468.50 g/mol
LogP4.09
Rot. Bonds7

About 2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide

2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide (PubChem CID 10027623) has the molecular formula C25H26F2N4O3 and a molecular weight of 468.50 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
PubChem CID10027623
Molecular FormulaC25H26F2N4O3
Molecular Weight468.50 g/mol
Exact Mass468.20
IUPAC Name2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESO=C(NC(C(=O)Nc1cc(-c2ccccc2)[nH]n1)C1CCCCC1)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C25H26F2N4O3/c26-18-11-17(12-19(27)13-18)23(32)25(34)29-22(16-9-5-2-6-10-16)24(33)28-21-14-20(30-31-21)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16,22-23,32H,2,5-6,9-10H2,(H,29,34)(H2,28,30,31,33)
InChIKeyRNVHWGBMNRIUEW-UHFFFAOYSA-N
XLogP4.09
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide (CID 10027623) is 2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide is O=C(NC(C(=O)Nc1cc(-c2ccccc2)[nH]n1)C1CCCCC1)C(O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is RNVHWGBMNRIUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O3/c26-18-11-17(12-19(27)13-18)23(32)25(34)29-22(16-9-5-2-6-10-16)24(33)28-21-14-20(30-31-21)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16,22-23,32H,2,5-6,9-10H2,(H,29,34)(H2,28,30,31,33).
What are the key properties of 2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 468.50 g/mol, XLogP of 4.09, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 10027623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).