N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

C18H15F3N4O3S — CID 56502575

IUPACN-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccc(Cn2cccn2)c1)c1cccnc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)29(27,28)17-15(6-2-7-22-17)16(26)23-11-13-4-1-5-14(10-13)12-25-9-3-8-24-25/h1-10H,11-12H2,(H,23,26)
InChIKeyULNXQZCTIQKOAC-UHFFFAOYSA-N
MW424.40 g/mol
LogP2.55
Rot. Bonds6

About N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (PubChem CID 56502575) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
PubChem CID56502575
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC NameN-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccc(Cn2cccn2)c1)c1cccnc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)29(27,28)17-15(6-2-7-22-17)16(26)23-11-13-4-1-5-14(10-13)12-25-9-3-8-24-25/h1-10H,11-12H2,(H,23,26)
InChIKeyULNXQZCTIQKOAC-UHFFFAOYSA-N
XLogP2.55
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953897
2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 60552354
3-[[[2-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]benzoic acid
CID 75445007
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954530
3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55955040
N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 71881359
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
2-[(4-fluorophenyl)methylsulfanyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55760131
N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 163312905
(2S)-2-amino-3,3-dimethyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119744700
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (CID 56502575) is N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is O=C(NCc1cccc(Cn2cccn2)c1)c1cccnc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The InChIKey is ULNXQZCTIQKOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c19-18(20,21)29(27,28)17-15(6-2-7-22-17)16(26)23-11-13-4-1-5-14(10-13)12-25-9-3-8-24-25/h1-10H,11-12H2,(H,23,26).
What are the key properties of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide has a molecular weight of 424.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 56502575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).