3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide

C22H16ClN3O2 — CID 46920056

IUPAC3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C22H16ClN3O2/c23-19-9-5-4-8-18(19)20-14-21(26-25-20)22(27)24-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-14H,(H,24,27)(H,25,26)
InChIKeyCWAGPIZDNILWFI-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.77
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920056) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920056
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C22H16ClN3O2/c23-19-9-5-4-8-18(19)20-14-21(26-25-20)22(27)24-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-14H,(H,24,27)(H,25,26)
InChIKeyCWAGPIZDNILWFI-UHFFFAOYSA-N
XLogP5.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 46920090
3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920076
3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030449
3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920100
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
3-(2-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087843
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 110001692
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
3-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128475
3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046352

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46920056) is 3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CWAGPIZDNILWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-19-9-5-4-8-18(19)20-14-21(26-25-20)22(27)24-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-14H,(H,24,27)(H,25,26).
What are the key properties of 3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).