N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide

C19H20F3N5O2 — CID 19265454

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
SMILESCCn1ncc(CNC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)c1C
InChIInChI=1S/C19H20F3N5O2/c1-3-27-13(2)14(11-24-27)10-23-18(28)17-7-8-26(25-17)12-29-16-6-4-5-15(9-16)19(20,21)22/h4-9,11H,3,10,12H2,1-2H3,(H,23,28)
InChIKeyVRXQNZKROWCGCV-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.39
Rot. Bonds7

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide (PubChem CID 19265454) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
PubChem CID19265454
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
SMILESCCn1ncc(CNC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)c1C
InChIInChI=1S/C19H20F3N5O2/c1-3-27-13(2)14(11-24-27)10-23-18(28)17-7-8-26(25-17)12-29-16-6-4-5-15(9-16)19(20,21)22/h4-9,11H,3,10,12H2,1-2H3,(H,23,28)
InChIKeyVRXQNZKROWCGCV-UHFFFAOYSA-N
XLogP3.39
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19329042
1-[(2-chlorophenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19265151
N-(2-methylpropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265450
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19328136
N-(3-methoxypropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265646
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278358
N-[2-(4-bromopyrazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19282910
1-[(4-tert-butylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19273684
N-(2,3-dimethylphenyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265372
N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 4867226
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278371
1-[(3-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294711

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide (CID 19265454) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide is CCn1ncc(CNC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The InChIKey is VRXQNZKROWCGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-3-27-13(2)14(11-24-27)10-23-18(28)17-7-8-26(25-17)12-29-16-6-4-5-15(9-16)19(20,21)22/h4-9,11H,3,10,12H2,1-2H3,(H,23,28).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19265454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).