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

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
Butyl 3-[(2-methoxyphenyl)carbamoyl]pyrazole-1-carboxylate
CID 654121
4-bromo-1-ethyl-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 973635
4-Amino-2-methyl-2H-pyrazole-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 913152
5-(3-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575014
5-(4-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575148
5-(2-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575193
(4-Chloro-2-methylpyrazol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6469727
1-[1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine
CID 25284334
1-Ethyl-5-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}-1H-pyrazole
CID 91919961
1-[(2-Chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4773972

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).