1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H19F3N6O — CID 71052944

IUPAC1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)nc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)18-16(13-26-29(18)15-4-2-1-3-5-15)19(30)27-14-6-7-17(25-12-14)28-10-8-24-9-11-28/h1-7,12-13,24H,8-11H2,(H,27,30)
InChIKeyLZDSWMNDNJGABG-UHFFFAOYSA-N
MW416.41 g/mol
LogP2.95
Rot. Bonds4

About 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 71052944) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID71052944
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)nc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)18-16(13-26-29(18)15-4-2-1-3-5-15)19(30)27-14-6-7-17(25-12-14)28-10-8-24-9-11-28/h1-7,12-13,24H,8-11H2,(H,27,30)
InChIKeyLZDSWMNDNJGABG-UHFFFAOYSA-N
XLogP2.95
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 71052944) is 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(N2CCNCC2)nc1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LZDSWMNDNJGABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c21-20(22,23)18-16(13-26-29(18)15-4-2-1-3-5-15)19(30)27-14-6-7-17(25-12-14)28-10-8-24-9-11-28/h1-7,12-13,24H,8-11H2,(H,27,30).
What are the key properties of 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 71052944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).