N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide

C16H17Cl2N3O2 — CID 51248287

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CCOCC1
InChIInChI=1S/C16H17Cl2N3O2/c17-13-2-1-12(14(18)9-13)10-21-15(3-6-19-21)20-16(22)11-4-7-23-8-5-11/h1-3,6,9,11H,4-5,7-8,10H2,(H,20,22)
InChIKeyAKJIZXHOVMNRIR-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.60
Rot. Bonds4

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide (PubChem CID 51248287) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
PubChem CID51248287
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CCOCC1
InChIInChI=1S/C16H17Cl2N3O2/c17-13-2-1-12(14(18)9-13)10-21-15(3-6-19-21)20-16(22)11-4-7-23-8-5-11/h1-3,6,9,11H,4-5,7-8,10H2,(H,20,22)
InChIKeyAKJIZXHOVMNRIR-UHFFFAOYSA-N
XLogP3.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46547114
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568216
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55870918
1-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090594
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-difluorobenzamide
CID 55435501
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
CID 47020457
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119274816
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide (CID 51248287) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide is O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CCOCC1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide?
The InChIKey is AKJIZXHOVMNRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c17-13-2-1-12(14(18)9-13)10-21-15(3-6-19-21)20-16(22)11-4-7-23-8-5-11/h1-3,6,9,11H,4-5,7-8,10H2,(H,20,22).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide has a molecular weight of 354.24 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 51248287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).