N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide

C21H14F3N5O — CID 52944428

IUPACN-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)19-12-18(15-2-1-9-26-13-15)28-29(19)17-5-3-16(4-6-17)27-20(30)14-7-10-25-11-8-14/h1-13H,(H,27,30)
InChIKeyIRVZTUCRPZCREY-UHFFFAOYSA-N
MW409.37 g/mol
LogP4.60
Rot. Bonds4

About N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide

N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 52944428) has the molecular formula C21H14F3N5O and a molecular weight of 409.37 g/mol. Its IUPAC name is N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID52944428
Molecular FormulaC21H14F3N5O
Molecular Weight409.37 g/mol
Exact Mass409.12
IUPAC NameN-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)19-12-18(15-2-1-9-26-13-15)28-29(19)17-5-3-16(4-6-17)27-20(30)14-7-10-25-11-8-14/h1-13H,(H,27,30)
InChIKeyIRVZTUCRPZCREY-UHFFFAOYSA-N
XLogP4.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide (CID 52944428) is N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1ccncc1.
What is the InChIKey of N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is IRVZTUCRPZCREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O/c22-21(23,24)19-12-18(15-2-1-9-26-13-15)28-29(19)17-5-3-16(4-6-17)27-20(30)14-7-10-25-11-8-14/h1-13H,(H,27,30).
What are the key properties of N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 52944428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).