N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C11H9F3N4O — CID 47801296

IUPACN-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)9-8(6-17-18-9)10(19)16-5-7-2-1-3-15-4-7/h1-4,6H,5H2,(H,16,19)(H,17,18)
InChIKeyCTMGAFJLBBPEOJ-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.75
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 47801296) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID47801296
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC NameN-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)9-8(6-17-18-9)10(19)16-5-7-2-1-3-15-4-7/h1-4,6H,5H2,(H,16,19)(H,17,18)
InChIKeyCTMGAFJLBBPEOJ-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883496
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 166322106
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 47801296) is N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is O=C(NCc1cccnc1)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CTMGAFJLBBPEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)9-8(6-17-18-9)10(19)16-5-7-2-1-3-15-4-7/h1-4,6H,5H2,(H,16,19)(H,17,18).
What are the key properties of N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 47801296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).