1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide

C17H19FN4O — CID 2471334

IUPAC1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O/c1-3-21(4-2)17(23)15-12-22(11-5-10-19)20-16(15)13-6-8-14(18)9-7-13/h6-9,12H,3-5,11H2,1-2H3
InChIKeyOYUIFQXAGLWNNS-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.08
Rot. Bonds6

About 1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide

1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 2471334) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID2471334
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O/c1-3-21(4-2)17(23)15-12-22(11-5-10-19)20-16(15)13-6-8-14(18)9-7-13/h6-9,12H,3-5,11H2,1-2H3
InChIKeyOYUIFQXAGLWNNS-UHFFFAOYSA-N
XLogP3.08
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide (CID 2471334) is 1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide is CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is OYUIFQXAGLWNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-3-21(4-2)17(23)15-12-22(11-5-10-19)20-16(15)13-6-8-14(18)9-7-13/h6-9,12H,3-5,11H2,1-2H3.
What are the key properties of 1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide?
1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-N,N-diethyl-3-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2471334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).