N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide

C20H15F3N6O2 — CID 95752913

IUPACN-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccn(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H15F3N6O2/c21-20(22,23)14-2-1-3-15(10-14)31-12-29-9-6-16(28-29)19(30)25-18-11-17(26-27-18)13-4-7-24-8-5-13/h1-11H,12H2,(H2,25,26,27,30)
InChIKeyKBSZEPBIMFRJGR-UHFFFAOYSA-N
MW428.37 g/mol
LogP3.98
Rot. Bonds6

About N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide

N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide (PubChem CID 95752913) has the molecular formula C20H15F3N6O2 and a molecular weight of 428.37 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
PubChem CID95752913
Molecular FormulaC20H15F3N6O2
Molecular Weight428.37 g/mol
Exact Mass428.12
IUPAC NameN-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccn(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H15F3N6O2/c21-20(22,23)14-2-1-3-15(10-14)31-12-29-9-6-16(28-29)19(30)25-18-11-17(26-27-18)13-4-7-24-8-5-13/h1-11H,12H2,(H2,25,26,27,30)
InChIKeyKBSZEPBIMFRJGR-UHFFFAOYSA-N
XLogP3.98
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 95755170
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19285184
N-quinolin-8-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 35326841
1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752902
N-(2-methylpropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265450
N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19286588
N-(2,3-dimethylphenyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265372
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265556
N-(1,3-benzodioxol-5-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 35326705
N-(1-benzyl-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265585
N-(2-cyanophenyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265544
N-(3-methoxypropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265646

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide (CID 95752913) is N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide is O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccn(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The InChIKey is KBSZEPBIMFRJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2/c21-20(22,23)14-2-1-3-15(10-14)31-12-29-9-6-16(28-29)19(30)25-18-11-17(26-27-18)13-4-7-24-8-5-13/h1-11H,12H2,(H2,25,26,27,30).
What are the key properties of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide has a molecular weight of 428.37 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 95752913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).