7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

C18H17N5 — CID 665932

IUPAC7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2nc(C)cc2C)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C18H17N5/c1-12-10-17(22-14(3)9-13(2)21-22)23-18(20-12)16(11-19-23)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeySPOZCEKGUJQEHP-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.51
Rot. Bonds2

About 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 665932) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID665932
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2nc(C)cc2C)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C18H17N5/c1-12-10-17(22-14(3)9-13(2)21-22)23-18(20-12)16(11-19-23)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeySPOZCEKGUJQEHP-UHFFFAOYSA-N
XLogP3.51
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 665932) is 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(-n2nc(C)cc2C)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SPOZCEKGUJQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-12-10-17(22-14(3)9-13(2)21-22)23-18(20-12)16(11-19-23)15-7-5-4-6-8-15/h4-11H,1-3H3.
What are the key properties of 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 303.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 665932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).