N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide

C17H13ClFN3O2 — CID 39854156

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C17H13ClFN3O2/c18-16-7-13(19)4-1-12(16)9-22-10-14(8-20-22)21-17(24)11-2-5-15(23)6-3-11/h1-8,10,23H,9H2,(H,21,24)
InChIKeyYCJNXSATSMIHTD-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.68
Rot. Bonds4

About N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide (PubChem CID 39854156) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide
PubChem CID39854156
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C17H13ClFN3O2/c18-16-7-13(19)4-1-12(16)9-22-10-14(8-20-22)21-17(24)11-2-5-15(23)6-3-11/h1-8,10,23H,9H2,(H,21,24)
InChIKeyYCJNXSATSMIHTD-UHFFFAOYSA-N
XLogP3.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide (CID 39854156) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide is O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(O)cc1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide?
The InChIKey is YCJNXSATSMIHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c18-16-7-13(19)4-1-12(16)9-22-10-14(8-20-22)21-17(24)11-2-5-15(23)6-3-11/h1-8,10,23H,9H2,(H,21,24).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide has a molecular weight of 345.76 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxybenzamide is sourced from PubChem (CID 39854156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).