7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine

C18H24N6 — CID 110118552

IUPAC7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(C3CCN(Cc4cnn(C)c4C)CC3)n2n1
InChIInChI=1S/C18H24N6/c1-13-10-18-19-7-4-17(24(18)21-13)15-5-8-23(9-6-15)12-16-11-20-22(3)14(16)2/h4,7,10-11,15H,5-6,8-9,12H2,1-3H3
InChIKeyJBHTZZMGYLOMPU-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.46
Rot. Bonds3

About 7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine

7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 110118552) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID110118552
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(C3CCN(Cc4cnn(C)c4C)CC3)n2n1
InChIInChI=1S/C18H24N6/c1-13-10-18-19-7-4-17(24(18)21-13)15-5-8-23(9-6-15)12-16-11-20-22(3)14(16)2/h4,7,10-11,15H,5-6,8-9,12H2,1-3H3
InChIKeyJBHTZZMGYLOMPU-UHFFFAOYSA-N
XLogP2.46
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine (CID 110118552) is 7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nccc(C3CCN(Cc4cnn(C)c4C)CC3)n2n1.
What is the InChIKey of 7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JBHTZZMGYLOMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-13-10-18-19-7-4-17(24(18)21-13)15-5-8-23(9-6-15)12-16-11-20-22(3)14(16)2/h4,7,10-11,15H,5-6,8-9,12H2,1-3H3.
What are the key properties of 7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine?
7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 324.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110118552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).