N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H18N4O2 — CID 2861364

IUPACN-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCNC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1
InChIInChI=1S/C17H18N4O2/c1-12-10-14(13-6-4-3-5-7-13)19-16-11-15(20-21(12)16)17(22)18-8-9-23-2/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)
InChIKeyDIBIPSXPYWKRAK-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.08
Rot. Bonds5

About N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2861364) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2861364
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCNC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1
InChIInChI=1S/C17H18N4O2/c1-12-10-14(13-6-4-3-5-7-13)19-16-11-15(20-21(12)16)17(22)18-8-9-23-2/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)
InChIKeyDIBIPSXPYWKRAK-UHFFFAOYSA-N
XLogP2.08
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2861364) is N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is COCCNC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1.
What is the InChIKey of N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DIBIPSXPYWKRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-10-14(13-6-4-3-5-7-13)19-16-11-15(20-21(12)16)17(22)18-8-9-23-2/h3-7,10-11H,8-9H2,1-2H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2861364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).