2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

C16H14F3N5O2 — CID 71844252

IUPAC2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESCN1N=C(CC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C16H14F3N5O2/c1-23-15(26)9-11(22-23)8-14(25)21-10-2-4-12(5-3-10)24-13(6-7-20-24)16(17,18)19/h2-7H,8-9H2,1H3,(H,21,25)
InChIKeyFTJHKFGIEYQXMI-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.44
Rot. Bonds4

About 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (PubChem CID 71844252) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
PubChem CID71844252
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESCN1N=C(CC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C16H14F3N5O2/c1-23-15(26)9-11(22-23)8-14(25)21-10-2-4-12(5-3-10)24-13(6-7-20-24)16(17,18)19/h2-7H,8-9H2,1H3,(H,21,25)
InChIKeyFTJHKFGIEYQXMI-UHFFFAOYSA-N
XLogP2.44
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (CID 71844252) is 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is CN1N=C(CC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1=O.
What is the InChIKey of 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The InChIKey is FTJHKFGIEYQXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-23-15(26)9-11(22-23)8-14(25)21-10-2-4-12(5-3-10)24-13(6-7-20-24)16(17,18)19/h2-7H,8-9H2,1H3,(H,21,25).
What are the key properties of 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide has a molecular weight of 365.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 71844252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).