[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone

C21H25N5O — CID 70777521

IUPAC[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
SMILESCCc1cc(N2CCN(C(=O)c3ccccc3)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C21H25N5O/c1-4-18-14-19(26-20(22-18)15(2)16(3)23-26)24-10-12-25(13-11-24)21(27)17-8-6-5-7-9-17/h5-9,14H,4,10-13H2,1-3H3
InChIKeyOZRWINSUCGQPOF-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.87
Rot. Bonds3

About [4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone

[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 70777521) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is [4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
PubChem CID70777521
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
SMILESCCc1cc(N2CCN(C(=O)c3ccccc3)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C21H25N5O/c1-4-18-14-19(26-20(22-18)15(2)16(3)23-26)24-10-12-25(13-11-24)21(27)17-8-6-5-7-9-17/h5-9,14H,4,10-13H2,1-3H3
InChIKeyOZRWINSUCGQPOF-UHFFFAOYSA-N
XLogP2.87
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone (CID 70777521) is [4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone is CCc1cc(N2CCN(C(=O)c3ccccc3)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of [4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is OZRWINSUCGQPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-4-18-14-19(26-20(22-18)15(2)16(3)23-26)24-10-12-25(13-11-24)21(27)17-8-6-5-7-9-17/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of [4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone?
[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 363.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 70777521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).