N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H11F3N4O2 — CID 103208298

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCn1cc(C#N)c(NC(=O)CCOCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N4O2/c1-17-5-7(4-14)9(16-17)15-8(18)2-3-19-6-10(11,12)13/h5H,2-3,6H2,1H3,(H,15,16,18)
InChIKeyOCOUWDPTWDOPDZ-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.20
Rot. Bonds5

About N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103208298) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103208298
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCn1cc(C#N)c(NC(=O)CCOCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N4O2/c1-17-5-7(4-14)9(16-17)15-8(18)2-3-19-6-10(11,12)13/h5H,2-3,6H2,1H3,(H,15,16,18)
InChIKeyOCOUWDPTWDOPDZ-UHFFFAOYSA-N
XLogP1.20
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(1-isobutyl-4-methyl-1H-pyrazol-5-yl)propanamide
CID 132412401
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide
CID 132970581
N-[4-cyano-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681529
N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 79504036
N-(4-cyano-1-methylpyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79504314
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79504505
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205495
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide
CID 103205496
N-(4-cyano-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208287
N-(4-cyano-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208288
N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208296
N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208297

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103208298) is N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide is Cn1cc(C#N)c(NC(=O)CCOCC(F)(F)F)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is OCOUWDPTWDOPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-17-5-7(4-14)9(16-17)15-8(18)2-3-19-6-10(11,12)13/h5H,2-3,6H2,1H3,(H,15,16,18).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 276.22 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103208298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).