N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide

C15H17F3N4O2 — CID 87593245

IUPACN-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESC[C@@H](N)COc1ccc(NC(=O)C(F)(F)F)cc1-c1ccnn1C
InChIInChI=1S/C15H17F3N4O2/c1-9(19)8-24-13-4-3-10(21-14(23)15(16,17)18)7-11(13)12-5-6-20-22(12)2/h3-7,9H,8,19H2,1-2H3,(H,21,23)/t9-/m1/s1
InChIKeyWTLPSBDFMRWPRY-SECBINFHSA-N
MW342.32 g/mol
LogP2.31
Rot. Bonds5

About N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide

N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 87593245) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID87593245
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC NameN-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESC[C@@H](N)COc1ccc(NC(=O)C(F)(F)F)cc1-c1ccnn1C
InChIInChI=1S/C15H17F3N4O2/c1-9(19)8-24-13-4-3-10(21-14(23)15(16,17)18)7-11(13)12-5-6-20-22(12)2/h3-7,9H,8,19H2,1-2H3,(H,21,23)/t9-/m1/s1
InChIKeyWTLPSBDFMRWPRY-SECBINFHSA-N
XLogP2.31
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide (CID 87593245) is N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide is C[C@@H](N)COc1ccc(NC(=O)C(F)(F)F)cc1-c1ccnn1C.
What is the InChIKey of N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is WTLPSBDFMRWPRY-SECBINFHSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-9(19)8-24-13-4-3-10(21-14(23)15(16,17)18)7-11(13)12-5-6-20-22(12)2/h3-7,9H,8,19H2,1-2H3,(H,21,23)/t9-/m1/s1.
What are the key properties of N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 342.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87593245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).