N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide

C18H20N4O — CID 11529659

IUPACN,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCc1ccc(-c2nn3ccc(C)nc3c2CC(=O)N(C)C)cc1
InChIInChI=1S/C18H20N4O/c1-12-5-7-14(8-6-12)17-15(11-16(23)21(3)4)18-19-13(2)9-10-22(18)20-17/h5-10H,11H2,1-4H3
InChIKeyZSVTXHJVOOLAPX-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.64
Rot. Bonds3

About N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide

N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide (PubChem CID 11529659) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
PubChem CID11529659
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCc1ccc(-c2nn3ccc(C)nc3c2CC(=O)N(C)C)cc1
InChIInChI=1S/C18H20N4O/c1-12-5-7-14(8-6-12)17-15(11-16(23)21(3)4)18-19-13(2)9-10-22(18)20-17/h5-10H,11H2,1-4H3
InChIKeyZSVTXHJVOOLAPX-UHFFFAOYSA-N
XLogP2.64
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide (CID 11529659) is N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide is Cc1ccc(-c2nn3ccc(C)nc3c2CC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The InChIKey is ZSVTXHJVOOLAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-5-7-14(8-6-12)17-15(11-16(23)21(3)4)18-19-13(2)9-10-22(18)20-17/h5-10H,11H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 11529659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).