N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide

C20H21Cl2N3O3 — CID 19295430

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
SMILESCc1nn(CCCNC(=O)c2ccc(COc3cccc(Cl)c3)o2)c(C)c1Cl
InChIInChI=1S/C20H21Cl2N3O3/c1-13-19(22)14(2)25(24-13)10-4-9-23-20(26)18-8-7-17(28-18)12-27-16-6-3-5-15(21)11-16/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,23,26)
InChIKeySUKAVKRIZQRCQF-UHFFFAOYSA-N
MW422.31 g/mol
LogP4.80
Rot. Bonds8

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19295430) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19295430
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
SMILESCc1nn(CCCNC(=O)c2ccc(COc3cccc(Cl)c3)o2)c(C)c1Cl
InChIInChI=1S/C20H21Cl2N3O3/c1-13-19(22)14(2)25(24-13)10-4-9-23-20(26)18-8-7-17(28-18)12-27-16-6-3-5-15(21)11-16/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,23,26)
InChIKeySUKAVKRIZQRCQF-UHFFFAOYSA-N
XLogP4.80
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19295449
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19295468
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417083
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448179
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19295408
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19295513
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417132
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19295432
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19330146
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19330078
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19330046
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467311

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide (CID 19295430) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide is Cc1nn(CCCNC(=O)c2ccc(COc3cccc(Cl)c3)o2)c(C)c1Cl.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is SUKAVKRIZQRCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-13-19(22)14(2)25(24-13)10-4-9-23-20(26)18-8-7-17(28-18)12-27-16-6-3-5-15(21)11-16/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 422.31 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19295430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).