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

C16H18BrN5O2 — CID 29092185

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide
SMILESCCn1ccc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)n1
InChIInChI=1S/C16H18BrN5O2/c1-4-21-8-7-14(20-21)18-16(23)13-6-5-12(24-13)9-22-11(3)15(17)10(2)19-22/h5-8H,4,9H2,1-3H3,(H,18,20,23)
InChIKeyZKGGUFYCNBDPHQ-UHFFFAOYSA-N
MW392.26 g/mol
LogP3.37
Rot. Bonds5

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

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide (PubChem CID 29092185) has the molecular formula C16H18BrN5O2 and a molecular weight of 392.26 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide
PubChem CID29092185
Molecular FormulaC16H18BrN5O2
Molecular Weight392.26 g/mol
Exact Mass391.06
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide
SMILESCCn1ccc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)n1
InChIInChI=1S/C16H18BrN5O2/c1-4-21-8-7-14(20-21)18-16(23)13-6-5-12(24-13)9-22-11(3)15(17)10(2)19-22/h5-8H,4,9H2,1-3H3,(H,18,20,23)
InChIKeyZKGGUFYCNBDPHQ-UHFFFAOYSA-N
XLogP3.37
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide (CID 29092185) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide is CCn1ccc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)n1.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide?
The InChIKey is ZKGGUFYCNBDPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O2/c1-4-21-8-7-14(20-21)18-16(23)13-6-5-12(24-13)9-22-11(3)15(17)10(2)19-22/h5-8H,4,9H2,1-3H3,(H,18,20,23).
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide has a molecular weight of 392.26 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylpyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 29092185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).