2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine

C20H18N4O — CID 2236969

IUPAC2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1nn2c(N)c(-c3ccccc3)cnc2c1-c1ccccc1
InChIInChI=1S/C20H18N4O/c1-25-13-17-18(15-10-6-3-7-11-15)20-22-12-16(19(21)24(20)23-17)14-8-4-2-5-9-14/h2-12H,13,21H2,1H3
InChIKeyWBQPAULTTTZESB-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.79
Rot. Bonds4

About 2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine

2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2236969) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2236969
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1nn2c(N)c(-c3ccccc3)cnc2c1-c1ccccc1
InChIInChI=1S/C20H18N4O/c1-25-13-17-18(15-10-6-3-7-11-15)20-22-12-16(19(21)24(20)23-17)14-8-4-2-5-9-14/h2-12H,13,21H2,1H3
InChIKeyWBQPAULTTTZESB-UHFFFAOYSA-N
XLogP3.79
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2236969) is 2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine is COCc1nn2c(N)c(-c3ccccc3)cnc2c1-c1ccccc1.
What is the InChIKey of 2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WBQPAULTTTZESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-25-13-17-18(15-10-6-3-7-11-15)20-22-12-16(19(21)24(20)23-17)14-8-4-2-5-9-14/h2-12H,13,21H2,1H3.
What are the key properties of 2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2236969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).