5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide

C15H14BrN5O3 — CID 135753133

IUPAC5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C15H14BrN5O3/c1-3-9-7-13(22)19-15(17-9)21-12(6-8(2)20-21)18-14(23)10-4-5-11(16)24-10/h4-7H,3H2,1-2H3,(H,18,23)(H,17,19,22)
InChIKeySQCFSJCSRVKTAV-UHFFFAOYSA-N
MW392.21 g/mol
LogP2.43
Rot. Bonds4

About 5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide

5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide (PubChem CID 135753133) has the molecular formula C15H14BrN5O3 and a molecular weight of 392.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
PubChem CID135753133
Molecular FormulaC15H14BrN5O3
Molecular Weight392.21 g/mol
Exact Mass391.03
IUPAC Name5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C15H14BrN5O3/c1-3-9-7-13(22)19-15(17-9)21-12(6-8(2)20-21)18-14(23)10-4-5-11(16)24-10/h4-7H,3H2,1-2H3,(H,18,23)(H,17,19,22)
InChIKeySQCFSJCSRVKTAV-UHFFFAOYSA-N
XLogP2.43
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide (CID 135753133) is 5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The InChIKey is SQCFSJCSRVKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O3/c1-3-9-7-13(22)19-15(17-9)21-12(6-8(2)20-21)18-14(23)10-4-5-11(16)24-10/h4-7H,3H2,1-2H3,(H,18,23)(H,17,19,22).
What are the key properties of 5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide has a molecular weight of 392.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 135753133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).