N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide

C15H15N5O2 — CID 71789828

IUPACN-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide
SMILESCc1nn(-c2ncc(NC(=O)c3ccco3)cn2)c(C)c1C
InChIInChI=1S/C15H15N5O2/c1-9-10(2)19-20(11(9)3)15-16-7-12(8-17-15)18-14(21)13-5-4-6-22-13/h4-8H,1-3H3,(H,18,21)
InChIKeyUVJZCNRKCCSTKQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.43
Rot. Bonds3

About N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide

N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide (PubChem CID 71789828) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide
PubChem CID71789828
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide
SMILESCc1nn(-c2ncc(NC(=O)c3ccco3)cn2)c(C)c1C
InChIInChI=1S/C15H15N5O2/c1-9-10(2)19-20(11(9)3)15-16-7-12(8-17-15)18-14(21)13-5-4-6-22-13/h4-8H,1-3H3,(H,18,21)
InChIKeyUVJZCNRKCCSTKQ-UHFFFAOYSA-N
XLogP2.43
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide (CID 71789828) is N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide is Cc1nn(-c2ncc(NC(=O)c3ccco3)cn2)c(C)c1C.
What is the InChIKey of N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is UVJZCNRKCCSTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-10(2)19-20(11(9)3)15-16-7-12(8-17-15)18-14(21)13-5-4-6-22-13/h4-8H,1-3H3,(H,18,21).
What are the key properties of N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide?
N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 71789828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).