N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide

C16H17N5O2 — CID 11472403

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccco2)n1
InChIInChI=1S/C16H17N5O2/c1-4-15(22)17-13-9-14(21-11(3)8-10(2)20-21)19-16(18-13)12-6-5-7-23-12/h5-9H,4H2,1-3H3,(H,17,18,19,22)
InChIKeyYMLUATWVKNQJJT-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.89
Rot. Bonds4

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide (PubChem CID 11472403) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide
PubChem CID11472403
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccco2)n1
InChIInChI=1S/C16H17N5O2/c1-4-15(22)17-13-9-14(21-11(3)8-10(2)20-21)19-16(18-13)12-6-5-7-23-12/h5-9H,4H2,1-3H3,(H,17,18,19,22)
InChIKeyYMLUATWVKNQJJT-UHFFFAOYSA-N
XLogP2.89
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide (CID 11472403) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide is CCC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccco2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide?
The InChIKey is YMLUATWVKNQJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-4-15(22)17-13-9-14(21-11(3)8-10(2)20-21)19-16(18-13)12-6-5-7-23-12/h5-9H,4H2,1-3H3,(H,17,18,19,22).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide has a molecular weight of 311.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide is sourced from PubChem (CID 11472403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).