N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C8H10F3N3O2 — CID 43540442

IUPACN-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-16-2-1-7(15)14-6-3-12-13-4-6/h3-4H,1-2,5H2,(H,12,13)(H,14,15)
InChIKeyGHHWPMNAMTXWSA-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.32
Rot. Bonds5

About N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43540442) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43540442
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-16-2-1-7(15)14-6-3-12-13-4-6/h3-4H,1-2,5H2,(H,12,13)(H,14,15)
InChIKeyGHHWPMNAMTXWSA-UHFFFAOYSA-N
XLogP1.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.32
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

4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid
CID 63650013
N-[4-(bromomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212488
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
N-(3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103725412
3-amino-2,2-difluoro-N-(1H-pyrazol-4-yl)propanamide
CID 130600837
5-bromo-N-(1H-pyrazol-4-yl)pentanamide
CID 107908291
6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid
CID 61317563
3-oxo-N-(1H-pyrazol-4-yl)butanamide
CID 43540271
N-(1H-pyrazol-4-yl)hex-5-ynamide
CID 130658950
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806990

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 43540442) is N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)Nc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is GHHWPMNAMTXWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)5-16-2-1-7(15)14-6-3-12-13-4-6/h3-4H,1-2,5H2,(H,12,13)(H,14,15).
What are the key properties of N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 237.18 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43540442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).