N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide

C26H24ClN3O2 — CID 19403127

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
SMILESCCc1ccc(OCc2cccc(C(=O)Nc3ccn(Cc4cccc(Cl)c4)n3)c2)cc1
InChIInChI=1S/C26H24ClN3O2/c1-2-19-9-11-24(12-10-19)32-18-21-6-3-7-22(15-21)26(31)28-25-13-14-30(29-25)17-20-5-4-8-23(27)16-20/h3-16H,2,17-18H2,1H3,(H,28,29,31)
InChIKeyQSGSHAUUUPVDMT-UHFFFAOYSA-N
MW445.95 g/mol
LogP5.98
Rot. Bonds8

About N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide (PubChem CID 19403127) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
PubChem CID19403127
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
SMILESCCc1ccc(OCc2cccc(C(=O)Nc3ccn(Cc4cccc(Cl)c4)n3)c2)cc1
InChIInChI=1S/C26H24ClN3O2/c1-2-19-9-11-24(12-10-19)32-18-21-6-3-7-22(15-21)26(31)28-25-13-14-30(29-25)17-20-5-4-8-23(27)16-20/h3-16H,2,17-18H2,1H3,(H,28,29,31)
InChIKeyQSGSHAUUUPVDMT-UHFFFAOYSA-N
XLogP5.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19403120
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19283696
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
3-[(4-chlorophenoxy)methyl]-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286735
3-[(3-bromophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283705
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19403152
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284551
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19402873

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide (CID 19403127) is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide is CCc1ccc(OCc2cccc(C(=O)Nc3ccn(Cc4cccc(Cl)c4)n3)c2)cc1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide?
The InChIKey is QSGSHAUUUPVDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-2-19-9-11-24(12-10-19)32-18-21-6-3-7-22(15-21)26(31)28-25-13-14-30(29-25)17-20-5-4-8-23(27)16-20/h3-16H,2,17-18H2,1H3,(H,28,29,31).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide has a molecular weight of 445.95 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide is sourced from PubChem (CID 19403127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).