5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

C19H22N4 — CID 8741392

IUPAC5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3ccccc3)cnn2c(N2CCCCC2)c1C
InChIInChI=1S/C19H22N4/c1-14-15(2)21-18-17(16-9-5-3-6-10-16)13-20-23(18)19(14)22-11-7-4-8-12-22/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
InChIKeyIDLPBQDLRCSHPT-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.00
Rot. Bonds2

About 5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 8741392) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID8741392
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3ccccc3)cnn2c(N2CCCCC2)c1C
InChIInChI=1S/C19H22N4/c1-14-15(2)21-18-17(16-9-5-3-6-10-16)13-20-23(18)19(14)22-11-7-4-8-12-22/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
InChIKeyIDLPBQDLRCSHPT-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 8741392) is 5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is Cc1nc2c(-c3ccccc3)cnn2c(N2CCCCC2)c1C.
What is the InChIKey of 5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IDLPBQDLRCSHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-15(2)21-18-17(16-9-5-3-6-10-16)13-20-23(18)19(14)22-11-7-4-8-12-22/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 306.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 8741392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).