5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine

C19H22N4 — CID 665332

IUPAC5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(C)CC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H22N4/c1-14-8-10-22(11-9-14)18-12-15(2)21-19-17(13-20-23(18)19)16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3
InChIKeyXGPLRSIDIREMQJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.94
Rot. Bonds2

About 5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine

5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 665332) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID665332
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(C)CC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H22N4/c1-14-8-10-22(11-9-14)18-12-15(2)21-19-17(13-20-23(18)19)16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3
InChIKeyXGPLRSIDIREMQJ-UHFFFAOYSA-N
XLogP3.94
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine (CID 665332) is 5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(C)CC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XGPLRSIDIREMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-8-10-22(11-9-14)18-12-15(2)21-19-17(13-20-23(18)19)16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine?
5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 306.41 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 665332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).