N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide

C15H17N5O2 — CID 135551796

IUPACN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C15H17N5O2/c1-8-7-12(17-13(21)9-5-6-9)20(19-8)15-16-11-4-2-3-10(11)14(22)18-15/h7,9H,2-6H2,1H3,(H,17,21)(H,16,18,22)
InChIKeySGIRMRKDAHNWIY-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.10
Rot. Bonds3

About N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide

N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 135551796) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID135551796
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C15H17N5O2/c1-8-7-12(17-13(21)9-5-6-9)20(19-8)15-16-11-4-2-3-10(11)14(22)18-15/h7,9H,2-6H2,1H3,(H,17,21)(H,16,18,22)
InChIKeySGIRMRKDAHNWIY-UHFFFAOYSA-N
XLogP1.10
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide (CID 135551796) is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide is Cc1cc(NC(=O)C2CC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1.
What is the InChIKey of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is SGIRMRKDAHNWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-8-7-12(17-13(21)9-5-6-9)20(19-8)15-16-11-4-2-3-10(11)14(22)18-15/h7,9H,2-6H2,1H3,(H,17,21)(H,16,18,22).
What are the key properties of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide?
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135551796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).