N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide

C14H17N5O2 — CID 135753036

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2CC2)n1
InChIInChI=1S/C14H17N5O2/c1-3-10-7-12(20)17-14(15-10)19-11(6-8(2)18-19)16-13(21)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,16,21)(H,15,17,20)
InChIKeyXKGDMLZMCURNJM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.17
Rot. Bonds4

About N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 135753036) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide
PubChem CID135753036
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2CC2)n1
InChIInChI=1S/C14H17N5O2/c1-3-10-7-12(20)17-14(15-10)19-11(6-8(2)18-19)16-13(21)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,16,21)(H,15,17,20)
InChIKeyXKGDMLZMCURNJM-UHFFFAOYSA-N
XLogP1.17
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide (CID 135753036) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2CC2)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is XKGDMLZMCURNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-10-7-12(20)17-14(15-10)19-11(6-8(2)18-19)16-13(21)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,16,21)(H,15,17,20).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135753036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).