N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C17H18F3N3O2 — CID 56716729

IUPACN-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1cc(CN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)C2CC2)cn1
InChIInChI=1S/C17H18F3N3O2/c1-22-9-11(8-21-22)10-23(14-6-7-14)16(25)15(24)12-2-4-13(5-3-12)17(18,19)20/h2-5,8-9,14-15,24H,6-7,10H2,1H3
InChIKeyJZEPRERMGDDOPY-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 56716729) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID56716729
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1cc(CN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)C2CC2)cn1
InChIInChI=1S/C17H18F3N3O2/c1-22-9-11(8-21-22)10-23(14-6-7-14)16(25)15(24)12-2-4-13(5-3-12)17(18,19)20/h2-5,8-9,14-15,24H,6-7,10H2,1H3
InChIKeyJZEPRERMGDDOPY-UHFFFAOYSA-N
XLogP2.66
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 56716729) is N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cn1cc(CN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JZEPRERMGDDOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-22-9-11(8-21-22)10-23(14-6-7-14)16(25)15(24)12-2-4-13(5-3-12)17(18,19)20/h2-5,8-9,14-15,24H,6-7,10H2,1H3.
What are the key properties of N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 353.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 56716729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).