1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide

C17H23N5O3 — CID 136662432

IUPAC1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NC2CC(c3cc(=O)[nH]c(COC)n3)C2)c1C
InChIInChI=1S/C17H23N5O3/c1-4-22-10(2)13(8-18-22)17(24)19-12-5-11(6-12)14-7-16(23)21-15(20-14)9-25-3/h7-8,11-12H,4-6,9H2,1-3H3,(H,19,24)(H,20,21,23)
InChIKeyUSEXDZYXQAGBCE-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.12
Rot. Bonds6

About 1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide

1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide (PubChem CID 136662432) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide
PubChem CID136662432
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NC2CC(c3cc(=O)[nH]c(COC)n3)C2)c1C
InChIInChI=1S/C17H23N5O3/c1-4-22-10(2)13(8-18-22)17(24)19-12-5-11(6-12)14-7-16(23)21-15(20-14)9-25-3/h7-8,11-12H,4-6,9H2,1-3H3,(H,19,24)(H,20,21,23)
InChIKeyUSEXDZYXQAGBCE-UHFFFAOYSA-N
XLogP1.12
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide (CID 136662432) is 1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)NC2CC(c3cc(=O)[nH]c(COC)n3)C2)c1C.
What is the InChIKey of 1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is USEXDZYXQAGBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-22-10(2)13(8-18-22)17(24)19-12-5-11(6-12)14-7-16(23)21-15(20-14)9-25-3/h7-8,11-12H,4-6,9H2,1-3H3,(H,19,24)(H,20,21,23).
What are the key properties of 1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide?
1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 136662432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).