[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone

C14H15F3N6O — CID 91631619

IUPAC[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nc(N2CCN(C(=O)c3ccn[nH]3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N6O/c1-9-19-11(14(15,16)17)8-12(20-9)22-4-6-23(7-5-22)13(24)10-2-3-18-21-10/h2-3,8H,4-7H2,1H3,(H,18,21)
InChIKeyUIZMDVDXZOWBKJ-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.49
Rot. Bonds2

About [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 91631619) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID91631619
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nc(N2CCN(C(=O)c3ccn[nH]3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N6O/c1-9-19-11(14(15,16)17)8-12(20-9)22-4-6-23(7-5-22)13(24)10-2-3-18-21-10/h2-3,8H,4-7H2,1H3,(H,18,21)
InChIKeyUIZMDVDXZOWBKJ-UHFFFAOYSA-N
XLogP1.49
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906482
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779749
(2-methylpyrimidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 72121332
1-ethyl-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-1H-pyrazole-5-carboxamide
CID 91631464
(1-methyl-1H-pyrazol-5-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631552
(4-chloro-1-ethyl-1H-pyrazol-3-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631569
2,4,5,8,15,17,20-Heptazatricyclo[14.3.1.13,6]henicosa-1(20),3,6(21),16,18-pentaen-7-one
CID 171353921
2,4,5,8,14,16,19-Heptazatricyclo[13.3.1.13,6]icosa-1(19),3,6(20),15,17-pentaen-7-one
CID 171355584
2-cyano-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide
CID 178297048
2-cyano-N-(1-methylpyrazol-3-yl)pyrimidine-4-carboxamide
CID 178307003

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 91631619) is [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1nc(N2CCN(C(=O)c3ccn[nH]3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is UIZMDVDXZOWBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c1-9-19-11(14(15,16)17)8-12(20-9)22-4-6-23(7-5-22)13(24)10-2-3-18-21-10/h2-3,8H,4-7H2,1H3,(H,18,21).
What are the key properties of [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 340.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91631619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).