4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide

C11H11BrN4O3 — CID 4771075

IUPAC4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Br)o2)c(C(N)=O)n1
InChIInChI=1S/C11H11BrN4O3/c1-2-16-5-6(9(15-16)10(13)17)14-11(18)7-3-4-8(12)19-7/h3-5H,2H2,1H3,(H2,13,17)(H,14,18)
InChIKeyIHSSOVCFMBDDQH-UHFFFAOYSA-N
MW327.14 g/mol
LogP1.61
Rot. Bonds4

About 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide

4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 4771075) has the molecular formula C11H11BrN4O3 and a molecular weight of 327.14 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
PubChem CID4771075
Molecular FormulaC11H11BrN4O3
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC Name4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Br)o2)c(C(N)=O)n1
InChIInChI=1S/C11H11BrN4O3/c1-2-16-5-6(9(15-16)10(13)17)14-11(18)7-3-4-8(12)19-7/h3-5H,2H2,1H3,(H2,13,17)(H,14,18)
InChIKeyIHSSOVCFMBDDQH-UHFFFAOYSA-N
XLogP1.61
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide (CID 4771075) is 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(Br)o2)c(C(N)=O)n1.
What is the InChIKey of 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is IHSSOVCFMBDDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3/c1-2-16-5-6(9(15-16)10(13)17)14-11(18)7-3-4-8(12)19-7/h3-5H,2H2,1H3,(H2,13,17)(H,14,18).
What are the key properties of 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 327.14 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-2-carbonyl)amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 4771075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).