4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide

C20H20ClN3O2 — CID 2168960

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-26-19-8-4-15(5-9-19)10-11-22-20(25)17-6-2-16(3-7-17)13-24-14-18(21)12-23-24/h2-9,12,14H,10-11,13H2,1H3,(H,22,25)
InChIKeySGEAJLAWCMAMMA-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.57
Rot. Bonds7

About 4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide

4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 2168960) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID2168960
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-26-19-8-4-15(5-9-19)10-11-22-20(25)17-6-2-16(3-7-17)13-24-14-18(21)12-23-24/h2-9,12,14H,10-11,13H2,1H3,(H,22,25)
InChIKeySGEAJLAWCMAMMA-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.57
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-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 2168960) is 4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is SGEAJLAWCMAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-26-19-8-4-15(5-9-19)10-11-22-20(25)17-6-2-16(3-7-17)13-24-14-18(21)12-23-24/h2-9,12,14H,10-11,13H2,1H3,(H,22,25).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
4-[(4-chloropyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 369.85 g/mol, XLogP of 3.57, 7 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-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 2168960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).