N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide

C12H18F3N3O — CID 135065447

IUPACN,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCN(CC)C(=O)CCn1nc(C)cc1C(F)(F)F
InChIInChI=1S/C12H18F3N3O/c1-4-17(5-2)11(19)6-7-18-10(12(13,14)15)8-9(3)16-18/h8H,4-7H2,1-3H3
InChIKeyYRDIJVIRPFXYNF-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.47
Rot. Bonds5

About N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide

N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 135065447) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID135065447
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCN(CC)C(=O)CCn1nc(C)cc1C(F)(F)F
InChIInChI=1S/C12H18F3N3O/c1-4-17(5-2)11(19)6-7-18-10(12(13,14)15)8-9(3)16-18/h8H,4-7H2,1-3H3
InChIKeyYRDIJVIRPFXYNF-UHFFFAOYSA-N
XLogP2.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}-3,5-dimethyl-1H-pyrazole
CID 844732
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 720035
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-Methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 2256952
2-Pyrrolidinone, 1-(1-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-
CID 3073529
N-butyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 1877172
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 5241859

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 135065447) is N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide is CCN(CC)C(=O)CCn1nc(C)cc1C(F)(F)F.
What is the InChIKey of N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is YRDIJVIRPFXYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-17(5-2)11(19)6-7-18-10(12(13,14)15)8-9(3)16-18/h8H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide?
N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 277.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 135065447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).