1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C13H19F3N4O2 — CID 87020403

IUPAC1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H19F3N4O2/c1-9(20-3-5-22-6-4-20)7-17-12(21)10-8-19(2)18-11(10)13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21)
InChIKeyPZOXLNDTNOJENG-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.89
Rot. Bonds4

About 1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87020403) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87020403
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC Name1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H19F3N4O2/c1-9(20-3-5-22-6-4-20)7-17-12(21)10-8-19(2)18-11(10)13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21)
InChIKeyPZOXLNDTNOJENG-UHFFFAOYSA-N
XLogP0.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474450
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-(4-amino-4-oxobutyl)-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56818095
5-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 61684995
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72879541
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294
5-methyl-1-propyl-N-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1H-pyrazole-4-carboxamide
CID 72884873
5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide
CID 72929946
1-(oxan-3-yl)-N-(2-sulfanylethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 177679525

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87020403) is 1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCOCC1.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PZOXLNDTNOJENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-9(20-3-5-22-6-4-20)7-17-12(21)10-8-19(2)18-11(10)13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21).
What are the key properties of 1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87020403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).