N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H25F3N4O — CID 19566613

IUPACN-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCN(CC)CCNC(=O)C(C)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H25F3N4O/c1-5-21(6-2)8-7-19-14(23)11(3)10-22-12(4)9-13(20-22)15(16,17)18/h9,11H,5-8,10H2,1-4H3,(H,19,23)
InChIKeyMVGBBZMSDSQNPU-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.30
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19566613) has the molecular formula C15H25F3N4O and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19566613
Molecular FormulaC15H25F3N4O
Molecular Weight334.39 g/mol
Exact Mass334.20
IUPAC NameN-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCN(CC)CCNC(=O)C(C)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H25F3N4O/c1-5-21(6-2)8-7-19-14(23)11(3)10-22-12(4)9-13(20-22)15(16,17)18/h9,11H,5-8,10H2,1-4H3,(H,19,23)
InChIKeyMVGBBZMSDSQNPU-UHFFFAOYSA-N
XLogP2.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19566613) is N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CCN(CC)CCNC(=O)C(C)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is MVGBBZMSDSQNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4O/c1-5-21(6-2)8-7-19-14(23)11(3)10-22-12(4)9-13(20-22)15(16,17)18/h9,11H,5-8,10H2,1-4H3,(H,19,23).
What are the key properties of N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 334.39 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19566613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).