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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Related Compounds

Bemitradine
CID 55784
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)oxan-3-amine
CID 127052289
2-(Methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2236969
7-Amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 1163266
3-[[4-[2-(Methoxymethyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-yl]amino]benzonitrile
CID 155528401
3-(2-Methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23604754
7-Amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 619301
US11673894, Ex. No. 95
CID 139508838
US11673894, Ex. No. 94
CID 139508865
US11161850, Example 119
CID 146307290
N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56892284

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).