N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C16H12F3N5O2 — CID 53493641

IUPACN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)11-4-2-10(3-5-11)8-13(25)22-12-9-20-15(23-14(12)26)24-7-1-6-21-24/h1-7,9H,8H2,(H,22,25)(H,20,23,26)
InChIKeyPZVVMUDIPFBKBI-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.16
Rot. Bonds4

About N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 53493641) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID53493641
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC NameN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)11-4-2-10(3-5-11)8-13(25)22-12-9-20-15(23-14(12)26)24-7-1-6-21-24/h1-7,9H,8H2,(H,22,25)(H,20,23,26)
InChIKeyPZVVMUDIPFBKBI-UHFFFAOYSA-N
XLogP2.16
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 53493641) is N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PZVVMUDIPFBKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)11-4-2-10(3-5-11)8-13(25)22-12-9-20-15(23-14(12)26)24-7-1-6-21-24/h1-7,9H,8H2,(H,22,25)(H,20,23,26).
What are the key properties of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 363.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53493641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).