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

C18H25N5O3 — CID 137251632

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCC3CCCO3)c2C)n1
InChIInChI=1S/C18H25N5O3/c1-11-9-17(25)21-18(20-11)23-13(3)15(12(2)22-23)6-7-16(24)19-10-14-5-4-8-26-14/h9,14H,4-8,10H2,1-3H3,(H,19,24)(H,20,21,25)
InChIKeyPPBNUTGIAGKEKV-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.11
Rot. Bonds6

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

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 137251632) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID137251632
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCC3CCCO3)c2C)n1
InChIInChI=1S/C18H25N5O3/c1-11-9-17(25)21-18(20-11)23-13(3)15(12(2)22-23)6-7-16(24)19-10-14-5-4-8-26-14/h9,14H,4-8,10H2,1-3H3,(H,19,24)(H,20,21,25)
InChIKeyPPBNUTGIAGKEKV-UHFFFAOYSA-N
XLogP1.11
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 137251632) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCC3CCCO3)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is PPBNUTGIAGKEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-11-9-17(25)21-18(20-11)23-13(3)15(12(2)22-23)6-7-16(24)19-10-14-5-4-8-26-14/h9,14H,4-8,10H2,1-3H3,(H,19,24)(H,20,21,25).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 137251632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).