N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide

C15H20N6O — CID 175648687

IUPACN-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCCc1cnc(N2CC(NC(=O)c3cc(C)nn3C)C2)nc1
InChIInChI=1S/C15H20N6O/c1-4-11-6-16-15(17-7-11)21-8-12(9-21)18-14(22)13-5-10(2)19-20(13)3/h5-7,12H,4,8-9H2,1-3H3,(H,18,22)
InChIKeyHYVCSSKMKUJSMI-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.70
Rot. Bonds4

About N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 175648687) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID175648687
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCCc1cnc(N2CC(NC(=O)c3cc(C)nn3C)C2)nc1
InChIInChI=1S/C15H20N6O/c1-4-11-6-16-15(17-7-11)21-8-12(9-21)18-14(22)13-5-10(2)19-20(13)3/h5-7,12H,4,8-9H2,1-3H3,(H,18,22)
InChIKeyHYVCSSKMKUJSMI-UHFFFAOYSA-N
XLogP0.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 175648687) is N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide is CCc1cnc(N2CC(NC(=O)c3cc(C)nn3C)C2)nc1.
What is the InChIKey of N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HYVCSSKMKUJSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-4-11-6-16-15(17-7-11)21-8-12(9-21)18-14(22)13-5-10(2)19-20(13)3/h5-7,12H,4,8-9H2,1-3H3,(H,18,22).
What are the key properties of N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 175648687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).