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

C24H24F3N7 — CID 24866126

IUPAC2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(-c3cn[nH]c3)cc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H24F3N7/c1-16-14-33(8-9-34(16)22-7-6-21(13-28-22)24(25,26)27)15-20-12-31-32-23(20)18-4-2-17(3-5-18)19-10-29-30-11-19/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,29,30)(H,31,32)
InChIKeyDBSJWWXNVJVXAR-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.59
Rot. Bonds5

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

2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 24866126) has the molecular formula C24H24F3N7 and a molecular weight of 467.50 g/mol. Its IUPAC name is 2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID24866126
Molecular FormulaC24H24F3N7
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(-c3cn[nH]c3)cc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H24F3N7/c1-16-14-33(8-9-34(16)22-7-6-21(13-28-22)24(25,26)27)15-20-12-31-32-23(20)18-4-2-17(3-5-18)19-10-29-30-11-19/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,29,30)(H,31,32)
InChIKeyDBSJWWXNVJVXAR-UHFFFAOYSA-N
XLogP4.59
TPSA76.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 24866126) is 2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is CC1CN(Cc2cn[nH]c2-c2ccc(-c3cn[nH]c3)cc2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is DBSJWWXNVJVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7/c1-16-14-33(8-9-34(16)22-7-6-21(13-28-22)24(25,26)27)15-20-12-31-32-23(20)18-4-2-17(3-5-18)19-10-29-30-11-19/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 467.50 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 24866126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).