4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide

C15H18F3N7O2 — CID 126776688

IUPAC4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)n1
InChIInChI=1S/C15H18F3N7O2/c1-27-12-2-4-19-13(21-12)23-6-8-24(9-7-23)14(26)20-11-3-5-25(22-11)10-15(16,17)18/h2-5H,6-10H2,1H3,(H,20,22,26)
InChIKeyUPLYYLDFANKUFL-UHFFFAOYSA-N
MW385.35 g/mol
LogP1.60
Rot. Bonds4

About 4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide

4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide (PubChem CID 126776688) has the molecular formula C15H18F3N7O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
PubChem CID126776688
Molecular FormulaC15H18F3N7O2
Molecular Weight385.35 g/mol
Exact Mass385.15
IUPAC Name4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)n1
InChIInChI=1S/C15H18F3N7O2/c1-27-12-2-4-19-13(21-12)23-6-8-24(9-7-23)14(26)20-11-3-5-25(22-11)10-15(16,17)18/h2-5H,6-10H2,1H3,(H,20,22,26)
InChIKeyUPLYYLDFANKUFL-UHFFFAOYSA-N
XLogP1.60
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide (CID 126776688) is 4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide is COc1ccnc(N2CCN(C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)n1.
What is the InChIKey of 4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide?
The InChIKey is UPLYYLDFANKUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N7O2/c1-27-12-2-4-19-13(21-12)23-6-8-24(9-7-23)14(26)20-11-3-5-25(22-11)10-15(16,17)18/h2-5H,6-10H2,1H3,(H,20,22,26).
What are the key properties of 4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide?
4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 126776688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).