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

C14H23F3N4O — CID 19534882

IUPACN-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCN(CC)CCNC(=O)C(C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H23F3N4O/c1-5-20(6-2)8-7-18-13(22)11(4)21-10(3)9-12(19-21)14(15,16)17/h9,11H,5-8H2,1-4H3,(H,18,22)
InChIKeyAXMROGROVIQWJE-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.23
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19534882) has the molecular formula C14H23F3N4O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19534882
Molecular FormulaC14H23F3N4O
Molecular Weight320.36 g/mol
Exact Mass320.18
IUPAC NameN-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCN(CC)CCNC(=O)C(C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H23F3N4O/c1-5-20(6-2)8-7-18-13(22)11(4)21-10(3)9-12(19-21)14(15,16)17/h9,11H,5-8H2,1-4H3,(H,18,22)
InChIKeyAXMROGROVIQWJE-UHFFFAOYSA-N
XLogP2.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Cyclohex-1-enyl-ethyl)-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 3153925
N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1923948
N,N-Dicyclohexyl-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 649138
N-cycloheptyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236015
N-cycloheptyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 1224578
1-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}-3,5-dimethyl-1H-pyrazole
CID 844732
5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 813457
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
1-(2-Methylpiperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethan-1-one
CID 649724
N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 749632
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 891733

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19534882) is N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CCN(CC)CCNC(=O)C(C)n1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is AXMROGROVIQWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O/c1-5-20(6-2)8-7-18-13(22)11(4)21-10(3)9-12(19-21)14(15,16)17/h9,11H,5-8H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 320.36 g/mol, XLogP of 2.23, 7 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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19534882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).