7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C17H18N4O2 — CID 53040810

IUPAC7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)ccc2OC)nc2ccnn12
InChIInChI=1S/C17H18N4O2/c1-4-12-10-14(19-16-7-8-18-21(12)16)17(22)20-13-9-11(2)5-6-15(13)23-3/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyQKLLLVWKHYDZDB-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.86
Rot. Bonds4

About 7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040810) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040810
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)ccc2OC)nc2ccnn12
InChIInChI=1S/C17H18N4O2/c1-4-12-10-14(19-16-7-8-18-21(12)16)17(22)20-13-9-11(2)5-6-15(13)23-3/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyQKLLLVWKHYDZDB-UHFFFAOYSA-N
XLogP2.86
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040810) is 7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1cc(C(=O)Nc2cc(C)ccc2OC)nc2ccnn12.
What is the InChIKey of 7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is QKLLLVWKHYDZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-12-10-14(19-16-7-8-18-21(12)16)17(22)20-13-9-11(2)5-6-15(13)23-3/h5-10H,4H2,1-3H3,(H,20,22).
What are the key properties of 7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).