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

C20H22F3N5O2 — CID 19278358

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)c(C)n1
InChIInChI=1S/C20H22F3N5O2/c1-4-27-12-15(14(2)24-27)11-26(3)19(29)18-8-9-28(25-18)13-30-17-7-5-6-16(10-17)20(21,22)23/h5-10,12H,4,11,13H2,1-3H3
InChIKeyQUTNFUIJVPNHBH-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.74
Rot. Bonds7

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

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide (PubChem CID 19278358) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
PubChem CID19278358
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)c(C)n1
InChIInChI=1S/C20H22F3N5O2/c1-4-27-12-15(14(2)24-27)11-26(3)19(29)18-8-9-28(25-18)13-30-17-7-5-6-16(10-17)20(21,22)23/h5-10,12H,4,11,13H2,1-3H3
InChIKeyQUTNFUIJVPNHBH-UHFFFAOYSA-N
XLogP3.74
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278361
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278371
1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278728
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265454
1-[(4-tert-butylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278943
N-(2-methylpropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265450
N-(3-methoxypropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265646
1-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278841
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19328136
N-(2,3-dimethylphenyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265372
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19329042
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19278649

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide (CID 19278358) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide is CCn1cc(CN(C)C(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The InChIKey is QUTNFUIJVPNHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-4-27-12-15(14(2)24-27)11-26(3)19(29)18-8-9-28(25-18)13-30-17-7-5-6-16(10-17)20(21,22)23/h5-10,12H,4,11,13H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19278358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).