4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide

C18H16ClN3O2 — CID 708262

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-24-17-8-6-16(7-9-17)21-18(23)14-4-2-13(3-5-14)11-22-12-15(19)10-20-22/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyHDODPOUWJFNQPE-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.85
Rot. Bonds5

About 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide

4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 708262) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
PubChem CID708262
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-24-17-8-6-16(7-9-17)21-18(23)14-4-2-13(3-5-14)11-22-12-15(19)10-20-22/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyHDODPOUWJFNQPE-UHFFFAOYSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide (CID 708262) is 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is HDODPOUWJFNQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-24-17-8-6-16(7-9-17)21-18(23)14-4-2-13(3-5-14)11-22-12-15(19)10-20-22/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide?
4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 341.80 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 708262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).