N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

C16H19F2N3O — CID 47992538

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)NC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C16H19F2N3O/c1-9-7-10(2)21(20-9)12(4)16(22)19-11(3)14-6-5-13(17)8-15(14)18/h5-8,11-12H,1-4H3,(H,19,22)
InChIKeyQVPSIRVFUGYNDV-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.22
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 47992538) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID47992538
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)NC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C16H19F2N3O/c1-9-7-10(2)21(20-9)12(4)16(22)19-11(3)14-6-5-13(17)8-15(14)18/h5-8,11-12H,1-4H3,(H,19,22)
InChIKeyQVPSIRVFUGYNDV-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 110879965
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
(2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 177351739
N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55581907
2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 56827442

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (CID 47992538) is N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(C(C)C(=O)NC(C)c2ccc(F)cc2F)n1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is QVPSIRVFUGYNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-9-7-10(2)21(20-9)12(4)16(22)19-11(3)14-6-5-13(17)8-15(14)18/h5-8,11-12H,1-4H3,(H,19,22).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 307.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 47992538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).