3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine

C21H17N7 — CID 155549407

IUPAC3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ncc(-c2ccn3ncc(-c4cnn(Cc5ccccc5)c4)c3n2)cn1
InChIInChI=1S/C21H17N7/c1-15-22-9-17(10-23-15)20-7-8-28-21(26-20)19(12-25-28)18-11-24-27(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3
InChIKeyLRIFABNGMLEASZ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.41
Rot. Bonds4

About 3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine

3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 155549407) has the molecular formula C21H17N7 and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID155549407
Molecular FormulaC21H17N7
Molecular Weight367.42 g/mol
Exact Mass367.15
IUPAC Name3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ncc(-c2ccn3ncc(-c4cnn(Cc5ccccc5)c4)c3n2)cn1
InChIInChI=1S/C21H17N7/c1-15-22-9-17(10-23-15)20-7-8-28-21(26-20)19(12-25-28)18-11-24-27(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3
InChIKeyLRIFABNGMLEASZ-UHFFFAOYSA-N
XLogP3.41
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine (CID 155549407) is 3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine is Cc1ncc(-c2ccn3ncc(-c4cnn(Cc5ccccc5)c4)c3n2)cn1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is LRIFABNGMLEASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7/c1-15-22-9-17(10-23-15)20-7-8-28-21(26-20)19(12-25-28)18-11-24-27(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3.
What are the key properties of 3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine?
3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 367.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155549407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).