4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

C15H17F5N6 — CID 171993559

IUPAC4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCn1cc(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)c(C(F)F)n1
InChIInChI=1S/C15H17F5N6/c1-24-7-10(13(23-24)14(16)17)8-25-2-4-26(5-3-25)12-6-11(15(18,19)20)21-9-22-12/h6-7,9,14H,2-5,8H2,1H3
InChIKeyCYVBSANANZAEGQ-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.49
Rot. Bonds4

About 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 171993559) has the molecular formula C15H17F5N6 and a molecular weight of 376.33 g/mol. Its IUPAC name is 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID171993559
Molecular FormulaC15H17F5N6
Molecular Weight376.33 g/mol
Exact Mass376.14
IUPAC Name4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCn1cc(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)c(C(F)F)n1
InChIInChI=1S/C15H17F5N6/c1-24-7-10(13(23-24)14(16)17)8-25-2-4-26(5-3-25)12-6-11(15(18,19)20)21-9-22-12/h6-7,9,14H,2-5,8H2,1H3
InChIKeyCYVBSANANZAEGQ-UHFFFAOYSA-N
XLogP2.49
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine with MolForge

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Related Compounds

Dnl-201
CID 69093374
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
2,2-Dimethyl-3-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69093123
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281678
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
US9932325, Example 44
CID 69085121

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 171993559) is 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine is Cn1cc(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)c(C(F)F)n1.
What is the InChIKey of 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is CYVBSANANZAEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F5N6/c1-24-7-10(13(23-24)14(16)17)8-25-2-4-26(5-3-25)12-6-11(15(18,19)20)21-9-22-12/h6-7,9,14H,2-5,8H2,1H3.
What are the key properties of 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 376.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 171993559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).