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

C14H17N5O2 — CID 135551785

IUPACN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C14H17N5O2/c1-3-12(20)16-11-7-8(2)18-19(11)14-15-10-6-4-5-9(10)13(21)17-14/h7H,3-6H2,1-2H3,(H,16,20)(H,15,17,21)
InChIKeyNSNKGNXSMNMUHE-UHFFFAOYSA-N
MW287.32 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]propanamide

N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide (PubChem CID 135551785) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide
PubChem CID135551785
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C14H17N5O2/c1-3-12(20)16-11-7-8(2)18-19(11)14-15-10-6-4-5-9(10)13(21)17-14/h7H,3-6H2,1-2H3,(H,16,20)(H,15,17,21)
InChIKeyNSNKGNXSMNMUHE-UHFFFAOYSA-N
XLogP1.10
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
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]propanamide?
The IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide (CID 135551785) is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide is CCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The InChIKey is NSNKGNXSMNMUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-12(20)16-11-7-8(2)18-19(11)14-15-10-6-4-5-9(10)13(21)17-14/h7H,3-6H2,1-2H3,(H,16,20)(H,15,17,21).
What are the key properties of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide has a molecular weight of 287.32 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]propanamide is sourced from PubChem (CID 135551785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).