3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide

C23H18ClN3O2 — CID 18277804

IUPAC3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C23H18ClN3O2/c24-20-13-17(11-12-21(20)28)23(29)25-14-18-15-27(19-9-5-2-6-10-19)26-22(18)16-7-3-1-4-8-16/h1-13,15,28H,14H2,(H,25,29)
InChIKeyVNUCZTVETFTFHH-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.83
Rot. Bonds5

About 3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide

3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide (PubChem CID 18277804) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide
PubChem CID18277804
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C23H18ClN3O2/c24-20-13-17(11-12-21(20)28)23(29)25-14-18-15-27(19-9-5-2-6-10-19)26-22(18)16-7-3-1-4-8-16/h1-13,15,28H,14H2,(H,25,29)
InChIKeyVNUCZTVETFTFHH-UHFFFAOYSA-N
XLogP4.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-4-hydroxy-benzoic acid (1-benzyl-1H-indol-3-ylmethylene)-hydrazide
CID 44369346
3,5-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 56935331
US20230278981, Example 52
CID 163301018
US20230278981, Example 77
CID 163301027
US20230278981, Example 56
CID 163301043
US20230278981, Example 105
CID 163301104
Hsd17B13-IN-35
CID 163301215
(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 57392482
N-[3-[3-(4-chloro-3-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]benzamide
CID 71739840
(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127049542
N-[3-[3-(3-chloro-4-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155540164
N-[3-[3-(3-chloro-4-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 155543795

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide (CID 18277804) is 3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide?
The InChIKey is VNUCZTVETFTFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-20-13-17(11-12-21(20)28)23(29)25-14-18-15-27(19-9-5-2-6-10-19)26-22(18)16-7-3-1-4-8-16/h1-13,15,28H,14H2,(H,25,29).
What are the key properties of 3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide?
3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide has a molecular weight of 403.87 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-hydroxybenzamide is sourced from PubChem (CID 18277804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).