4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide

C18H16F2N4O2 — CID 166373863

IUPAC4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3cnn(C(F)F)c3)cc2C)ccn1
InChIInChI=1S/C18H16F2N4O2/c1-11-7-12(13-9-23-24(10-13)18(19)20)3-4-16(11)26-14-5-6-22-15(8-14)17(25)21-2/h3-10,18H,1-2H3,(H,21,25)
InChIKeyHONYQNMVPVYXEH-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.80
Rot. Bonds5

About 4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide

4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 166373863) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
PubChem CID166373863
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3cnn(C(F)F)c3)cc2C)ccn1
InChIInChI=1S/C18H16F2N4O2/c1-11-7-12(13-9-23-24(10-13)18(19)20)3-4-16(11)26-14-5-6-22-15(8-14)17(25)21-2/h3-10,18H,1-2H3,(H,21,25)
InChIKeyHONYQNMVPVYXEH-UHFFFAOYSA-N
XLogP3.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide (CID 166373863) is 4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(-c3cnn(C(F)F)c3)cc2C)ccn1.
What is the InChIKey of 4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is HONYQNMVPVYXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-11-7-12(13-9-23-24(10-13)18(19)20)3-4-16(11)26-14-5-6-22-15(8-14)17(25)21-2/h3-10,18H,1-2H3,(H,21,25).
What are the key properties of 4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 166373863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).