2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine

C21H22F3N5 — CID 141195146

IUPAC2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
SMILESCC1CN(Cc2cn[nH]c2-c2ccccc2)CCN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H22F3N5/c1-15-13-28(14-17-11-26-27-20(17)16-5-3-2-4-6-16)9-10-29(15)18-7-8-19(25-12-18)21(22,23)24/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,26,27)
InChIKeyWLIMAXZMHBDULY-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.20
Rot. Bonds4

About 2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine

2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine (PubChem CID 141195146) has the molecular formula C21H22F3N5 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
PubChem CID141195146
Molecular FormulaC21H22F3N5
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Name2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
SMILESCC1CN(Cc2cn[nH]c2-c2ccccc2)CCN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H22F3N5/c1-15-13-28(14-17-11-26-27-20(17)16-5-3-2-4-6-16)9-10-29(15)18-7-8-19(25-12-18)21(22,23)24/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,26,27)
InChIKeyWLIMAXZMHBDULY-UHFFFAOYSA-N
XLogP4.20
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
The IUPAC name of 2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine (CID 141195146) is 2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine.
What is the SMILES notation for 2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
The canonical SMILES for 2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine is CC1CN(Cc2cn[nH]c2-c2ccccc2)CCN1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
The InChIKey is WLIMAXZMHBDULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5/c1-15-13-28(14-17-11-26-27-20(17)16-5-3-2-4-6-16)9-10-29(15)18-7-8-19(25-12-18)21(22,23)24/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,26,27).
What are the key properties of 2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine has a molecular weight of 401.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine is sourced from PubChem (CID 141195146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).