7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine

C24H22N6O3 — CID 159722520

IUPAC7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine
SMILESCOc1c(C(=O)O)c(C)nc2cc(-c3ccccc3)nn12.Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C15H13N3O3.C9H9N3/c1-9-13(15(19)20)14(21-2)18-12(16-9)8-11(17-18)10-6-4-3-5-7-10;10-9-6-8(11-12-9)7-4-2-1-3-5-7/h3-8H,1-2H3,(H,19,20);1-6H,(H3,10,11,12)
InChIKeyNAFHYOMKAOEHEX-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.07
Rot. Bonds4

About 7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine

7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine (PubChem CID 159722520) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine
PubChem CID159722520
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine
SMILESCOc1c(C(=O)O)c(C)nc2cc(-c3ccccc3)nn12.Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C15H13N3O3.C9H9N3/c1-9-13(15(19)20)14(21-2)18-12(16-9)8-11(17-18)10-6-4-3-5-7-10;10-9-6-8(11-12-9)7-4-2-1-3-5-7/h3-8H,1-2H3,(H,19,20);1-6H,(H3,10,11,12)
InChIKeyNAFHYOMKAOEHEX-UHFFFAOYSA-N
XLogP4.07
TPSA131.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine (CID 159722520) is 7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine is COc1c(C(=O)O)c(C)nc2cc(-c3ccccc3)nn12.Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine?
The InChIKey is NAFHYOMKAOEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3.C9H9N3/c1-9-13(15(19)20)14(21-2)18-12(16-9)8-11(17-18)10-6-4-3-5-7-10;10-9-6-8(11-12-9)7-4-2-1-3-5-7/h3-8H,1-2H3,(H,19,20);1-6H,(H3,10,11,12).
What are the key properties of 7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine?
7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine has a molecular weight of 442.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 159722520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).