(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

C21H25N5O — CID 24641599

IUPAC(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1cc2ncc(C(=O)N3CCN(CCc4ccccc4)CC3)c(C)n2n1
InChIInChI=1S/C21H25N5O/c1-16-14-20-22-15-19(17(2)26(20)23-16)21(27)25-12-10-24(11-13-25)9-8-18-6-4-3-5-7-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyBMMLKLLSGGPZJK-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.35
Rot. Bonds4

About (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 24641599) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID24641599
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1cc2ncc(C(=O)N3CCN(CCc4ccccc4)CC3)c(C)n2n1
InChIInChI=1S/C21H25N5O/c1-16-14-20-22-15-19(17(2)26(20)23-16)21(27)25-12-10-24(11-13-25)9-8-18-6-4-3-5-7-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyBMMLKLLSGGPZJK-UHFFFAOYSA-N
XLogP2.35
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 24641599) is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is Cc1cc2ncc(C(=O)N3CCN(CCc4ccccc4)CC3)c(C)n2n1.
What is the InChIKey of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is BMMLKLLSGGPZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-14-20-22-15-19(17(2)26(20)23-16)21(27)25-12-10-24(11-13-25)9-8-18-6-4-3-5-7-18/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 363.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24641599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).