N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C21H20N4O — CID 2045207

IUPACN-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)cc1
InChIInChI=1S/C21H20N4O/c1-3-26-18-11-9-17(10-12-18)24-20-13-15(2)23-21-19(14-22-25(20)21)16-7-5-4-6-8-16/h4-14,24H,3H2,1-2H3
InChIKeyIQSSVEQGXBETOX-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.85
Rot. Bonds5

About N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2045207) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2045207
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)cc1
InChIInChI=1S/C21H20N4O/c1-3-26-18-11-9-17(10-12-18)24-20-13-15(2)23-21-19(14-22-25(20)21)16-7-5-4-6-8-16/h4-14,24H,3H2,1-2H3
InChIKeyIQSSVEQGXBETOX-UHFFFAOYSA-N
XLogP4.85
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2045207) is N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IQSSVEQGXBETOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-3-26-18-11-9-17(10-12-18)24-20-13-15(2)23-21-19(14-22-25(20)21)16-7-5-4-6-8-16/h4-14,24H,3H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 344.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2045207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).