2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide

C13H17N5O2 — CID 135752890

IUPAC2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(C)C)n1
InChIInChI=1S/C13H17N5O2/c1-7(2)12(20)15-10-5-9(4)17-18(10)13-14-8(3)6-11(19)16-13/h5-7H,1-4H3,(H,15,20)(H,14,16,19)
InChIKeyVCULRWOILIYKSQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.17
Rot. Bonds3

About 2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide

2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide (PubChem CID 135752890) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
PubChem CID135752890
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(C)C)n1
InChIInChI=1S/C13H17N5O2/c1-7(2)12(20)15-10-5-9(4)17-18(10)13-14-8(3)6-11(19)16-13/h5-7H,1-4H3,(H,15,20)(H,14,16,19)
InChIKeyVCULRWOILIYKSQ-UHFFFAOYSA-N
XLogP1.17
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide (CID 135752890) is 2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide is Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The InChIKey is VCULRWOILIYKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7(2)12(20)15-10-5-9(4)17-18(10)13-14-8(3)6-11(19)16-13/h5-7H,1-4H3,(H,15,20)(H,14,16,19).
What are the key properties of 2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide?
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide has a molecular weight of 275.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 135752890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).