3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide

C23H17ClFN3O2 — CID 155539698

IUPAC3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NOCc1ccccc1F)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClFN3O2/c24-18-12-10-16(11-13-18)22-20(14-28(26-22)19-7-2-1-3-8-19)23(29)27-30-15-17-6-4-5-9-21(17)25/h1-14H,15H2,(H,27,29)
InChIKeyHEEABOCHUCMPQL-UHFFFAOYSA-N
MW421.86 g/mol
LogP5.19
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide

3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide (PubChem CID 155539698) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide
PubChem CID155539698
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC Name3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NOCc1ccccc1F)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClFN3O2/c24-18-12-10-16(11-13-18)22-20(14-28(26-22)19-7-2-1-3-8-19)23(29)27-30-15-17-6-4-5-9-21(17)25/h1-14H,15H2,(H,27,29)
InChIKeyHEEABOCHUCMPQL-UHFFFAOYSA-N
XLogP5.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 155553556
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
3-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42988922
N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2100382
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
3-(4-chlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 7721800
CID 67048003
CID 67048003
N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2425845
N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide
CID 29205060
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl 2-phenylsulfanylacetate
CID 4846573
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide (CID 155539698) is 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide is O=C(NOCc1ccccc1F)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide?
The InChIKey is HEEABOCHUCMPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c24-18-12-10-16(11-13-18)22-20(14-28(26-22)19-7-2-1-3-8-19)23(29)27-30-15-17-6-4-5-9-21(17)25/h1-14H,15H2,(H,27,29).
What are the key properties of 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide?
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide has a molecular weight of 421.86 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155539698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).