3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide

C10H15F2N3O2 — CID 103209298

IUPAC3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
SMILESCCc1cc(NC(=O)CCOCC(F)F)n[nH]1
InChIInChI=1S/C10H15F2N3O2/c1-2-7-5-9(15-14-7)13-10(16)3-4-17-6-8(11)12/h5,8H,2-4,6H2,1H3,(H2,13,14,15,16)
InChIKeyPCTSEKYFTGSVRE-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.58
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide

3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide (PubChem CID 103209298) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
PubChem CID103209298
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC Name3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
SMILESCCc1cc(NC(=O)CCOCC(F)F)n[nH]1
InChIInChI=1S/C10H15F2N3O2/c1-2-7-5-9(15-14-7)13-10(16)3-4-17-6-8(11)12/h5,8H,2-4,6H2,1H3,(H2,13,14,15,16)
InChIKeyPCTSEKYFTGSVRE-UHFFFAOYSA-N
XLogP1.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 104617294
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 115593810
3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide
CID 124843258
N-(5-ethyl-1H-pyrazol-3-yl)-3-piperidin-4-yloxypropanamide
CID 104617993
2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
CID 104620381
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
CID 104619671
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784
N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
CID 103213848

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide (CID 103209298) is 3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide is CCc1cc(NC(=O)CCOCC(F)F)n[nH]1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is PCTSEKYFTGSVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-2-7-5-9(15-14-7)13-10(16)3-4-17-6-8(11)12/h5,8H,2-4,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 247.24 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 103209298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).