N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide

C22H17Cl2N3O3 — CID 16568051

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C22H17Cl2N3O3/c23-16-7-6-15(19(24)12-16)13-27-21(10-11-25-27)26-22(28)20-9-8-18(30-20)14-29-17-4-2-1-3-5-17/h1-12H,13-14H2,(H,26,28)
InChIKeyCGGJIHRPJMRXHO-UHFFFAOYSA-N
MW442.30 g/mol
LogP5.66
Rot. Bonds7

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 16568051) has the molecular formula C22H17Cl2N3O3 and a molecular weight of 442.30 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID16568051
Molecular FormulaC22H17Cl2N3O3
Molecular Weight442.30 g/mol
Exact Mass441.06
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C22H17Cl2N3O3/c23-16-7-6-15(19(24)12-16)13-27-21(10-11-25-27)26-22(28)20-9-8-18(30-20)14-29-17-4-2-1-3-5-17/h1-12H,13-14H2,(H,26,28)
InChIKeyCGGJIHRPJMRXHO-UHFFFAOYSA-N
XLogP5.66
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.30
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19337176
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19337126
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
5-[(2-bromophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19450231
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19337267
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 19345522
5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19345292
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4,5-trimethoxybenzamide
CID 55435526
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 19392758
5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 19337274
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 16568023

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide (CID 16568051) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide is O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is CGGJIHRPJMRXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3/c23-16-7-6-15(19(24)12-16)13-27-21(10-11-25-27)26-22(28)20-9-8-18(30-20)14-29-17-4-2-1-3-5-17/h1-12H,13-14H2,(H,26,28).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 442.30 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 16568051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).