4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

C11H12BrN3O2 — CID 753334

IUPAC4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C11H12BrN3O2/c1-2-15-7-9(12)10(14-15)11(16)13-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H,13,16)
InChIKeyIBWPARCNNQVTLZ-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.19
Rot. Bonds4

About 4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 753334) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID753334
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C11H12BrN3O2/c1-2-15-7-9(12)10(14-15)11(16)13-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H,13,16)
InChIKeyIBWPARCNNQVTLZ-UHFFFAOYSA-N
XLogP2.19
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (CID 753334) is 4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is IBWPARCNNQVTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-2-15-7-9(12)10(14-15)11(16)13-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H,13,16).
What are the key properties of 4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 753334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).