7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C15H13N5O — CID 2235995

IUPAC7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCOCc1nn2c(N)c(C#N)cnc2c1-c1ccccc1
InChIInChI=1S/C15H13N5O/c1-21-9-12-13(10-5-3-2-4-6-10)15-18-8-11(7-16)14(17)20(15)19-12/h2-6,8H,9,17H2,1H3
InChIKeyOWQOLLKJLROVGT-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.00
Rot. Bonds3

About 7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 2235995) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID2235995
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCOCc1nn2c(N)c(C#N)cnc2c1-c1ccccc1
InChIInChI=1S/C15H13N5O/c1-21-9-12-13(10-5-3-2-4-6-10)15-18-8-11(7-16)14(17)20(15)19-12/h2-6,8H,9,17H2,1H3
InChIKeyOWQOLLKJLROVGT-UHFFFAOYSA-N
XLogP2.00
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 2235995) is 7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is COCc1nn2c(N)c(C#N)cnc2c1-c1ccccc1.
What is the InChIKey of 7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is OWQOLLKJLROVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-21-9-12-13(10-5-3-2-4-6-10)15-18-8-11(7-16)14(17)20(15)19-12/h2-6,8H,9,17H2,1H3.
What are the key properties of 7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 2235995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).