1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide

C18H16FN3O2 — CID 56822684

IUPAC1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(CCOc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H16FN3O2/c19-14-6-8-15(9-7-14)24-11-10-22-12-16(18(20)23)17(21-22)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,20,23)
InChIKeySZYHMFFPAYFXPO-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.87
Rot. Bonds6

About 1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide

1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 56822684) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide
PubChem CID56822684
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(CCOc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H16FN3O2/c19-14-6-8-15(9-7-14)24-11-10-22-12-16(18(20)23)17(21-22)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,20,23)
InChIKeySZYHMFFPAYFXPO-UHFFFAOYSA-N
XLogP2.87
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylphenoxy)ethyl]-3-phenylpyrazole-4-carboxamide
CID 71879880
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide
CID 52910309
3-(4-fluorophenyl)-1-propylpyrazole-4-carboxylic acid
CID 61266506
ethyl 1-benzyl-3-(4-fluorophenyl)pyrazole-4-carboxylate
CID 69209130
1-(difluoromethyl)-3-(4-fluorophenyl)pyrazole-4-carboxamide
CID 86721236
3-phenyl-1-propylpyrazole-4-carboxylic acid
CID 61266498
1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole
CID 50967928
1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine
CID 50999569
1-[3-(4-fluorophenoxy)propyl]triazole-4-carboxylic acid
CID 62060396
1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxylic acid
CID 2333905
1-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-3-phenylpyrazole-4-carboxamide
CID 138042409
[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 69423063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide (CID 56822684) is 1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide is NC(=O)c1cn(CCOc2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is SZYHMFFPAYFXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-6-8-15(9-7-14)24-11-10-22-12-16(18(20)23)17(21-22)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,20,23).
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide?
1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 56822684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).