N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C9H12F3N3O2 — CID 112691325

IUPACN-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1cn[nH]c1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-6-4-13-15-8(6)14-7(16)2-3-17-5-9(10,11)12/h4H,2-3,5H2,1H3,(H2,13,14,15,16)
InChIKeyWGUJBJDGFWBSNK-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.63
Rot. Bonds5

About N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 112691325) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID112691325
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1cn[nH]c1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-6-4-13-15-8(6)14-7(16)2-3-17-5-9(10,11)12/h4H,2-3,5H2,1H3,(H2,13,14,15,16)
InChIKeyWGUJBJDGFWBSNK-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 112691325) is N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide is Cc1cn[nH]c1NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is WGUJBJDGFWBSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-6-4-13-15-8(6)14-7(16)2-3-17-5-9(10,11)12/h4H,2-3,5H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 251.21 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 112691325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).