7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H20N6O2 — CID 4865255

IUPAC7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)cc1
InChIInChI=1S/C20H20N6O2/c1-4-28-15-7-5-14(6-8-15)23-20(27)17-11-19-21-10-9-18(26(19)24-17)16-12-22-25(3)13(16)2/h5-12H,4H2,1-3H3,(H,23,27)
InChIKeyRELRTKXVFYHTRT-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.09
Rot. Bonds5

About 7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4865255) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4865255
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)cc1
InChIInChI=1S/C20H20N6O2/c1-4-28-15-7-5-14(6-8-15)23-20(27)17-11-19-21-10-9-18(26(19)24-17)16-12-22-25(3)13(16)2/h5-12H,4H2,1-3H3,(H,23,27)
InChIKeyRELRTKXVFYHTRT-UHFFFAOYSA-N
XLogP3.09
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4865255) is 7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccc(NC(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)cc1.
What is the InChIKey of 7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RELRTKXVFYHTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-4-28-15-7-5-14(6-8-15)23-20(27)17-11-19-21-10-9-18(26(19)24-17)16-12-22-25(3)13(16)2/h5-12H,4H2,1-3H3,(H,23,27).
What are the key properties of 7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethylpyrazol-4-yl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4865255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).