N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide

C13H18FN3O — CID 77014734

IUPACN-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide
SMILESCCN(C(=O)C1CNNC1C)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c1-3-17(11-6-4-10(14)5-7-11)13(18)12-8-15-16-9(12)2/h4-7,9,12,15-16H,3,8H2,1-2H3
InChIKeyVHLPQCDBUBLGAE-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.29
Rot. Bonds3

About N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide

N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide (PubChem CID 77014734) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide
PubChem CID77014734
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide
SMILESCCN(C(=O)C1CNNC1C)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c1-3-17(11-6-4-10(14)5-7-11)13(18)12-8-15-16-9(12)2/h4-7,9,12,15-16H,3,8H2,1-2H3
InChIKeyVHLPQCDBUBLGAE-UHFFFAOYSA-N
XLogP1.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide (CID 77014734) is N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide is CCN(C(=O)C1CNNC1C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide?
The InChIKey is VHLPQCDBUBLGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-3-17(11-6-4-10(14)5-7-11)13(18)12-8-15-16-9(12)2/h4-7,9,12,15-16H,3,8H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide?
N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide is sourced from PubChem (CID 77014734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).