N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide

C18H15F3N4O2 — CID 2810251

IUPACN-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H15F3N4O2/c1-25-16(23-17(26)12-4-3-9-22-10-12)14(15(24-25)18(19,20)21)11-5-7-13(27-2)8-6-11/h3-10H,1-2H3,(H,23,26)
InChIKeyZYUSUAXXPQPQNT-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.76
Rot. Bonds4

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

N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide (PubChem CID 2810251) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide
PubChem CID2810251
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H15F3N4O2/c1-25-16(23-17(26)12-4-3-9-22-10-12)14(15(24-25)18(19,20)21)11-5-7-13(27-2)8-6-11/h3-10H,1-2H3,(H,23,26)
InChIKeyZYUSUAXXPQPQNT-UHFFFAOYSA-N
XLogP3.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide (CID 2810251) is N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide is COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
The InChIKey is ZYUSUAXXPQPQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25-16(23-17(26)12-4-3-9-22-10-12)14(15(24-25)18(19,20)21)11-5-7-13(27-2)8-6-11/h3-10H,1-2H3,(H,23,26).
What are the key properties of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2810251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).