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

C16H17F3N4O3 — CID 4867226

IUPACN-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
SMILESO=C(NN1CCOCC1)c1ccn(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)12-2-1-3-13(10-12)26-11-23-5-4-14(20-23)15(24)21-22-6-8-25-9-7-22/h1-5,10H,6-9,11H2,(H,21,24)
InChIKeyBHUJHFVTHUGKHS-UHFFFAOYSA-N
MW370.33 g/mol
LogP1.92
Rot. Bonds5

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

N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide (PubChem CID 4867226) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
PubChem CID4867226
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC NameN-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
SMILESO=C(NN1CCOCC1)c1ccn(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)12-2-1-3-13(10-12)26-11-23-5-4-14(20-23)15(24)21-22-6-8-25-9-7-22/h1-5,10H,6-9,11H2,(H,21,24)
InChIKeyBHUJHFVTHUGKHS-UHFFFAOYSA-N
XLogP1.92
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265450
1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4774610
N-(3-methoxypropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265646
N-(1,3-benzodioxol-5-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 35326705
N-quinolin-8-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 35326841
N-(2,3-dimethylphenyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265372
N-(1-benzyl-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265585
N-(2-cyanophenyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265544
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 95755170
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19329042
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19285184
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265454

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The IUPAC name of N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide (CID 4867226) is N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide is O=C(NN1CCOCC1)c1ccn(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The InChIKey is BHUJHFVTHUGKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c17-16(18,19)12-2-1-3-13(10-12)26-11-23-5-4-14(20-23)15(24)21-22-6-8-25-9-7-22/h1-5,10H,6-9,11H2,(H,21,24).
What are the key properties of N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide has a molecular weight of 370.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4867226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).