N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide

C23H25Cl2N3O2 — CID 10203991

IUPACN-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide
SMILESCCc1nn(CCNC(=O)c2cccc(O)c2)c(CC)c1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H25Cl2N3O2/c1-3-21-20(12-15-10-17(24)14-18(25)11-15)22(4-2)28(27-21)9-8-26-23(30)16-6-5-7-19(29)13-16/h5-7,10-11,13-14,29H,3-4,8-9,12H2,1-2H3,(H,26,30)
InChIKeyXENWJMHMQHRMET-UHFFFAOYSA-N
MW446.38 g/mol
LogP5.04
Rot. Bonds8

About N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide

N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide (PubChem CID 10203991) has the molecular formula C23H25Cl2N3O2 and a molecular weight of 446.38 g/mol. Its IUPAC name is N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide
PubChem CID10203991
Molecular FormulaC23H25Cl2N3O2
Molecular Weight446.38 g/mol
Exact Mass445.13
IUPAC NameN-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide
SMILESCCc1nn(CCNC(=O)c2cccc(O)c2)c(CC)c1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H25Cl2N3O2/c1-3-21-20(12-15-10-17(24)14-18(25)11-15)22(4-2)28(27-21)9-8-26-23(30)16-6-5-7-19(29)13-16/h5-7,10-11,13-14,29H,3-4,8-9,12H2,1-2H3,(H,26,30)
InChIKeyXENWJMHMQHRMET-UHFFFAOYSA-N
XLogP5.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide
CID 139979626
2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]-N-methylethanamine;2,2-difluoroacetaldehyde
CID 142107311
3-hydroxy-N-octylbenzamide
CID 115568584
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
N-ethyl-3-hydroxybenzamide
CID 13175248
2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 79223129
2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate
CID 58746167
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
N-[3-[[N'-[(3-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111176116
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide
CID 115319665
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide (CID 10203991) is N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide is CCc1nn(CCNC(=O)c2cccc(O)c2)c(CC)c1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide?
The InChIKey is XENWJMHMQHRMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2/c1-3-21-20(12-15-10-17(24)14-18(25)11-15)22(4-2)28(27-21)9-8-26-23(30)16-6-5-7-19(29)13-16/h5-7,10-11,13-14,29H,3-4,8-9,12H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide?
N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide has a molecular weight of 446.38 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 10203991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).