N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide

C18H15F2N3O2 — CID 86861715

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)c1c(O)cc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c19-14-6-15(20)17(16(24)7-14)18(25)21-8-13-9-22-23(11-13)10-12-4-2-1-3-5-12/h1-7,9,11,24H,8,10H2,(H,21,25)
InChIKeyIDTIGKKDKXQPKB-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.85
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide

N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide (PubChem CID 86861715) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
PubChem CID86861715
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)c1c(O)cc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c19-14-6-15(20)17(16(24)7-14)18(25)21-8-13-9-22-23(11-13)10-12-4-2-1-3-5-12/h1-7,9,11,24H,8,10H2,(H,21,25)
InChIKeyIDTIGKKDKXQPKB-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 86991697
N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86990835
1-[(1-benzylpyrazol-4-yl)methyl]-3-[(5-fluoro-2-methylphenyl)methyl]urea
CID 166331306
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 47035459
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
N-[(1-benzylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 51115685
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86861797
N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 86991680
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide (CID 86861715) is N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide is O=C(NCc1cnn(Cc2ccccc2)c1)c1c(O)cc(F)cc1F.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide?
The InChIKey is IDTIGKKDKXQPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-14-6-15(20)17(16(24)7-14)18(25)21-8-13-9-22-23(11-13)10-12-4-2-1-3-5-12/h1-7,9,11,24H,8,10H2,(H,21,25).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide has a molecular weight of 343.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide is sourced from PubChem (CID 86861715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).