1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide

C18H19N5O2 — CID 91123115

IUPAC1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cc(-n3cccn3)nc(-c3ccco3)n2)CCCCC1
InChIInChI=1S/C18H19N5O2/c19-17(24)18(7-2-1-3-8-18)14-12-15(23-10-5-9-20-23)22-16(21-14)13-6-4-11-25-13/h4-6,9-12H,1-3,7-8H2,(H2,19,24)
InChIKeyFIUJLRHGIZWJDR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.61
Rot. Bonds4

About 1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide

1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide (PubChem CID 91123115) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide
PubChem CID91123115
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cc(-n3cccn3)nc(-c3ccco3)n2)CCCCC1
InChIInChI=1S/C18H19N5O2/c19-17(24)18(7-2-1-3-8-18)14-12-15(23-10-5-9-20-23)22-16(21-14)13-6-4-11-25-13/h4-6,9-12H,1-3,7-8H2,(H2,19,24)
InChIKeyFIUJLRHGIZWJDR-UHFFFAOYSA-N
XLogP2.61
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide (CID 91123115) is 1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide is NC(=O)C1(c2cc(-n3cccn3)nc(-c3ccco3)n2)CCCCC1.
What is the InChIKey of 1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is FIUJLRHGIZWJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c19-17(24)18(7-2-1-3-8-18)14-12-15(23-10-5-9-20-23)22-16(21-14)13-6-4-11-25-13/h4-6,9-12H,1-3,7-8H2,(H2,19,24).
What are the key properties of 1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide?
1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91123115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).