5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide

C16H16BrN5O3 — CID 135551426

IUPAC5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C16H16BrN5O3/c1-3-4-10-8-14(23)20-16(18-10)22-13(7-9(2)21-22)19-15(24)11-5-6-12(17)25-11/h5-8H,3-4H2,1-2H3,(H,19,24)(H,18,20,23)
InChIKeyUIPLGZYRWIANJW-UHFFFAOYSA-N
MW406.24 g/mol
LogP2.82
Rot. Bonds5

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

5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide (PubChem CID 135551426) has the molecular formula C16H16BrN5O3 and a molecular weight of 406.24 g/mol. Its IUPAC name is 5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide
PubChem CID135551426
Molecular FormulaC16H16BrN5O3
Molecular Weight406.24 g/mol
Exact Mass405.04
IUPAC Name5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C16H16BrN5O3/c1-3-4-10-8-14(23)20-16(18-10)22-13(7-9(2)21-22)19-15(24)11-5-6-12(17)25-11/h5-8H,3-4H2,1-2H3,(H,19,24)(H,18,20,23)
InChIKeyUIPLGZYRWIANJW-UHFFFAOYSA-N
XLogP2.82
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide (CID 135551426) is 5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is UIPLGZYRWIANJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O3/c1-3-4-10-8-14(23)20-16(18-10)22-13(7-9(2)21-22)19-15(24)11-5-6-12(17)25-11/h5-8H,3-4H2,1-2H3,(H,19,24)(H,18,20,23).
What are the key properties of 5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide?
5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 406.24 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 135551426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).