N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide

C15H18FN3O2 — CID 39854424

IUPACN,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3O2/c1-3-18(4-2)15(20)14-9-10-19(17-14)11-21-13-7-5-12(16)6-8-13/h5-10H,3-4,11H2,1-2H3
InChIKeyYSGVVJRDYLQVFF-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.54
Rot. Bonds6

About N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide

N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 39854424) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID39854424
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3O2/c1-3-18(4-2)15(20)14-9-10-19(17-14)11-21-13-7-5-12(16)6-8-13/h5-10H,3-4,11H2,1-2H3
InChIKeyYSGVVJRDYLQVFF-UHFFFAOYSA-N
XLogP2.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide (CID 39854424) is N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide is CCN(CC)C(=O)c1ccn(COc2ccc(F)cc2)n1.
What is the InChIKey of N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is YSGVVJRDYLQVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-18(4-2)15(20)14-9-10-19(17-14)11-21-13-7-5-12(16)6-8-13/h5-10H,3-4,11H2,1-2H3.
What are the key properties of N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 39854424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).