5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

C12H14ClN3O3 — CID 44820958

IUPAC5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Cn2cc(Cl)cn2)o1
InChIInChI=1S/C12H14ClN3O3/c1-18-5-4-14-12(17)11-3-2-10(19-11)8-16-7-9(13)6-15-16/h2-3,6-7H,4-5,8H2,1H3,(H,14,17)
InChIKeyADYMYVSTTGBHEI-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.55
Rot. Bonds6

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

5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 44820958) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID44820958
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Cn2cc(Cl)cn2)o1
InChIInChI=1S/C12H14ClN3O3/c1-18-5-4-14-12(17)11-3-2-10(19-11)8-16-7-9(13)6-15-16/h2-3,6-7H,4-5,8H2,1H3,(H,14,17)
InChIKeyADYMYVSTTGBHEI-UHFFFAOYSA-N
XLogP1.55
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.55
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

5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
CID 29096511
5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39891375
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 19578909
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4084510
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19283360
5-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283408
N-[3-(4-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 44825207
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 98510415
N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 86795032
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19454922
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 44820958) is 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCNC(=O)c1ccc(Cn2cc(Cl)cn2)o1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is ADYMYVSTTGBHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-18-5-4-14-12(17)11-3-2-10(19-11)8-16-7-9(13)6-15-16/h2-3,6-7H,4-5,8H2,1H3,(H,14,17).
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 283.71 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 44820958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).