5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

C18H24N6 — CID 110106306

IUPAC5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCCC(c4[nH]ncc4C)C3)c2n1
InChIInChI=1S/C18H24N6/c1-12-8-19-22-17(12)15-5-4-6-23(10-15)11-16-9-20-24-14(3)7-13(2)21-18(16)24/h7-9,15H,4-6,10-11H2,1-3H3,(H,19,22)
InChIKeyJCGINDZFLJVNDW-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.76
Rot. Bonds3

About 5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 110106306) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID110106306
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCCC(c4[nH]ncc4C)C3)c2n1
InChIInChI=1S/C18H24N6/c1-12-8-19-22-17(12)15-5-4-6-23(10-15)11-16-9-20-24-14(3)7-13(2)21-18(16)24/h7-9,15H,4-6,10-11H2,1-3H3,(H,19,22)
InChIKeyJCGINDZFLJVNDW-UHFFFAOYSA-N
XLogP2.76
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine (CID 110106306) is 5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(CN3CCCC(c4[nH]ncc4C)C3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is JCGINDZFLJVNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-12-8-19-22-17(12)15-5-4-6-23(10-15)11-16-9-20-24-14(3)7-13(2)21-18(16)24/h7-9,15H,4-6,10-11H2,1-3H3,(H,19,22).
What are the key properties of 5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 324.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110106306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).