4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one

C16H18F3N5O2 — CID 137129916

IUPAC4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2cc(C(=O)N3CCC(C(F)(F)F)CC3)c(C)n2)n1
InChIInChI=1S/C16H18F3N5O2/c1-9-7-13(25)21-15(20-9)24-8-12(10(2)22-24)14(26)23-5-3-11(4-6-23)16(17,18)19/h7-8,11H,3-6H2,1-2H3,(H,20,21,25)
InChIKeyCHEJMOJRCXKTCT-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.99
Rot. Bonds2

About 4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one

4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 137129916) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID137129916
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2cc(C(=O)N3CCC(C(F)(F)F)CC3)c(C)n2)n1
InChIInChI=1S/C16H18F3N5O2/c1-9-7-13(25)21-15(20-9)24-8-12(10(2)22-24)14(26)23-5-3-11(4-6-23)16(17,18)19/h7-8,11H,3-6H2,1-2H3,(H,20,21,25)
InChIKeyCHEJMOJRCXKTCT-UHFFFAOYSA-N
XLogP1.99
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one (CID 137129916) is 4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2cc(C(=O)N3CCC(C(F)(F)F)CC3)c(C)n2)n1.
What is the InChIKey of 4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is CHEJMOJRCXKTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-9-7-13(25)21-15(20-9)24-8-12(10(2)22-24)14(26)23-5-3-11(4-6-23)16(17,18)19/h7-8,11H,3-6H2,1-2H3,(H,20,21,25).
What are the key properties of 4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 369.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137129916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).