5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

C14H18BrN3O3 — CID 19454922

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C14H18BrN3O3/c1-9-13(15)10(2)18(17-9)8-11-4-5-12(21-11)14(19)16-6-7-20-3/h4-5H,6-8H2,1-3H3,(H,16,19)
InChIKeySSLKLIFVNVAJTM-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.28
Rot. Bonds6

About 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 19454922) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID19454922
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C14H18BrN3O3/c1-9-13(15)10(2)18(17-9)8-11-4-5-12(21-11)14(19)16-6-7-20-3/h4-5H,6-8H2,1-3H3,(H,16,19)
InChIKeySSLKLIFVNVAJTM-UHFFFAOYSA-N
XLogP2.28
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.28
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-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19454971
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753490
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 4606194
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 736773
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414210
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416094
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19454899
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-carboxamide
CID 19456583
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915
N-(1-adamantyl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19454721
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1224509
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19468113

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 19454922) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCNC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is SSLKLIFVNVAJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-9-13(15)10(2)18(17-9)8-11-4-5-12(21-11)14(19)16-6-7-20-3/h4-5H,6-8H2,1-3H3,(H,16,19).
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 19454922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).