5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H24N5O+ — CID 2044964

IUPAC5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC[NH+]2CCOCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H23N5O/c1-15-13-18(20-7-8-23-9-11-25-12-10-23)24-19(22-15)17(14-21-24)16-5-3-2-4-6-16/h2-6,13-14,20H,7-12H2,1H3/p+1
InChIKeyWKIAIBBQABNQLL-UHFFFAOYSA-O
MW338.44 g/mol
LogP1.03
Rot. Bonds5

About 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2044964) has the molecular formula C19H24N5O+ and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2044964
Molecular FormulaC19H24N5O+
Molecular Weight338.44 g/mol
Exact Mass338.20
IUPAC Name5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC[NH+]2CCOCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H23N5O/c1-15-13-18(20-7-8-23-9-11-25-12-10-23)24-19(22-15)17(14-21-24)16-5-3-2-4-6-16/h2-6,13-14,20H,7-12H2,1H3/p+1
InChIKeyWKIAIBBQABNQLL-UHFFFAOYSA-O
XLogP1.03
TPSA55.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2044964) is 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC[NH+]2CCOCC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WKIAIBBQABNQLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N5O/c1-15-13-18(20-7-8-23-9-11-25-12-10-23)24-19(22-15)17(14-21-24)16-5-3-2-4-6-16/h2-6,13-14,20H,7-12H2,1H3/p+1.
What are the key properties of 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 338.44 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2044964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).