N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide

C19H20ClN3O3 — CID 19283360

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)NCCn3cc(Cl)cn3)o2)c1
InChIInChI=1S/C19H20ClN3O3/c1-13-3-4-14(2)18(9-13)25-12-16-5-6-17(26-16)19(24)21-7-8-23-11-15(20)10-22-23/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,24)
InChIKeyLWRKMYXYPXIJCY-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.76
Rot. Bonds7

About N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19283360) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19283360
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)NCCn3cc(Cl)cn3)o2)c1
InChIInChI=1S/C19H20ClN3O3/c1-13-3-4-14(2)18(9-13)25-12-16-5-6-17(26-16)19(24)21-7-8-23-11-15(20)10-22-23/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,24)
InChIKeyLWRKMYXYPXIJCY-UHFFFAOYSA-N
XLogP3.76
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323
5-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283408
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]furan-2-carboxamide
CID 19330322
N-[2-(4-chloropyrazol-1-yl)ethyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19283421
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19574729
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19412681
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456708
5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643
5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19331041
5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393388

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19283360) is N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(C)c(OCc2ccc(C(=O)NCCn3cc(Cl)cn3)o2)c1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is LWRKMYXYPXIJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13-3-4-14(2)18(9-13)25-12-16-5-6-17(26-16)19(24)21-7-8-23-11-15(20)10-22-23/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19283360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).