N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide

C16H14F3N5O2 — CID 123462095

IUPACN-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide
SMILESCC1C=CN(c2ncc(NC(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]2)N1
InChIInChI=1S/C16H14F3N5O2/c1-9-5-6-24(23-9)15-20-8-12(14(26)22-15)21-13(25)10-3-2-4-11(7-10)16(17,18)19/h2-9,23H,1H3,(H,21,25)(H,20,22,26)
InChIKeyBJILAZULACTAJG-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.27
Rot. Bonds3

About N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide

N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide (PubChem CID 123462095) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide
PubChem CID123462095
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC NameN-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide
SMILESCC1C=CN(c2ncc(NC(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]2)N1
InChIInChI=1S/C16H14F3N5O2/c1-9-5-6-24(23-9)15-20-8-12(14(26)22-15)21-13(25)10-3-2-4-11(7-10)16(17,18)19/h2-9,23H,1H3,(H,21,25)(H,20,22,26)
InChIKeyBJILAZULACTAJG-UHFFFAOYSA-N
XLogP2.27
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide (CID 123462095) is N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide is CC1C=CN(c2ncc(NC(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]2)N1.
What is the InChIKey of N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is BJILAZULACTAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-9-5-6-24(23-9)15-20-8-12(14(26)22-15)21-13(25)10-3-2-4-11(7-10)16(17,18)19/h2-9,23H,1H3,(H,21,25)(H,20,22,26).
What are the key properties of N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide?
N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 365.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 123462095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).