N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide

C22H16ClN3O — CID 11624955

IUPACN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H16ClN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27)
InChIKeyCLRHXKFCVHAEFI-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.45
Rot. Bonds4

About N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide

N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide (PubChem CID 11624955) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide
PubChem CID11624955
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC NameN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H16ClN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27)
InChIKeyCLRHXKFCVHAEFI-UHFFFAOYSA-N
XLogP5.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide
CID 46870033
N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide
CID 11610682
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
CID 118456253
6-benzyl-3-ethyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402947
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19d
CID 135402953
6-[(3-aminophenyl)methyl]-3-ethyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402957
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19k
CID 135402960

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The IUPAC name of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide (CID 11624955) is N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The InChIKey is CLRHXKFCVHAEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27).
What are the key properties of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide?
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide has a molecular weight of 373.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 11624955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).