3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide

C23H18ClN3O2 — CID 45030415

IUPAC3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C23H18ClN3O2/c24-18-8-6-17(7-9-18)21-14-22(27-26-21)23(28)25-19-10-12-20(13-11-19)29-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,25,28)(H,26,27)
InChIKeyDFPUODVBFKBFBR-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.56
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030415) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030415
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C23H18ClN3O2/c24-18-8-6-17(7-9-18)21-14-22(27-26-21)23(28)25-19-10-12-20(13-11-19)29-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,25,28)(H,26,27)
InChIKeyDFPUODVBFKBFBR-UHFFFAOYSA-N
XLogP5.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 6877938
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030449
methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
CID 58748843
3-(4-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4527834
5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide
CID 110692063
5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832138

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 45030415) is 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DFPUODVBFKBFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-18-8-6-17(7-9-18)21-14-22(27-26-21)23(28)25-19-10-12-20(13-11-19)29-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,25,28)(H,26,27).
What are the key properties of 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).