N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide

C19H13Cl2N5O — CID 46451511

IUPACN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1cnc2ccccc2n1
InChIInChI=1S/C19H13Cl2N5O/c20-13-4-3-5-14(21)12(13)11-26-18(8-9-23-26)25-19(27)17-10-22-15-6-1-2-7-16(15)24-17/h1-10H,11H2,(H,25,27)
InChIKeyWYLSHQQQZNUMNL-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.43
Rot. Bonds4

About N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide (PubChem CID 46451511) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide
PubChem CID46451511
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1cnc2ccccc2n1
InChIInChI=1S/C19H13Cl2N5O/c20-13-4-3-5-14(21)12(13)11-26-18(8-9-23-26)25-19(27)17-10-22-15-6-1-2-7-16(15)24-17/h1-10H,11H2,(H,25,27)
InChIKeyWYLSHQQQZNUMNL-UHFFFAOYSA-N
XLogP4.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide
CID 9118345
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 24525267
4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide
CID 166204119
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide
CID 30397973
N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide
CID 71884776
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide
CID 38996990
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 24525231
1-chloro-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]isoquinoline-3-carboxamide
CID 31911520
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 24525272
N-(6-chloropyrazin-2-yl)quinoxaline-2-carboxamide
CID 104938179

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide (CID 46451511) is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide is O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide?
The InChIKey is WYLSHQQQZNUMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c20-13-4-3-5-14(21)12(13)11-26-18(8-9-23-26)25-19(27)17-10-22-15-6-1-2-7-16(15)24-17/h1-10H,11H2,(H,25,27).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide?
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 46451511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).