N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C20H19F3N4O2 — CID 31963518

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C20H19F3N4O2/c1-26(11-16-10-25-27(13-16)12-15-6-3-2-4-7-15)19(28)17-8-5-9-24-18(17)29-14-20(21,22)23/h2-10,13H,11-12,14H2,1H3
InChIKeyDNVGVYUVWDWGFQ-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.54
Rot. Bonds7

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 31963518) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID31963518
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C20H19F3N4O2/c1-26(11-16-10-25-27(13-16)12-15-6-3-2-4-7-15)19(28)17-8-5-9-24-18(17)29-14-20(21,22)23/h2-10,13H,11-12,14H2,1H3
InChIKeyDNVGVYUVWDWGFQ-UHFFFAOYSA-N
XLogP3.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 44775773
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 99697580
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30767329
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
methyl 2-methyl-5-[[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]methyl]furan-3-carboxylate
CID 31966993
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 31673836
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120519705
N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide
CID 31798884
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47041007
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 31963518) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is DNVGVYUVWDWGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-26(11-16-10-25-27(13-16)12-15-6-3-2-4-7-15)19(28)17-8-5-9-24-18(17)29-14-20(21,22)23/h2-10,13H,11-12,14H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 31963518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).