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

C14H19N5O — CID 110849860

IUPAC(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc2nc(C(=O)N3CCN(C)CC3)cc(C)n2n1
InChIInChI=1S/C14H19N5O/c1-10-8-13-15-12(9-11(2)19(13)16-10)14(20)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3
InChIKeyMWUPJURWQSBLLL-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.73
Rot. Bonds1

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

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 110849860) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID110849860
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc2nc(C(=O)N3CCN(C)CC3)cc(C)n2n1
InChIInChI=1S/C14H19N5O/c1-10-8-13-15-12(9-11(2)19(13)16-10)14(20)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3
InChIKeyMWUPJURWQSBLLL-UHFFFAOYSA-N
XLogP0.73
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.73
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-5-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone (CID 110849860) is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone is Cc1cc2nc(C(=O)N3CCN(C)CC3)cc(C)n2n1.
What is the InChIKey of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is MWUPJURWQSBLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-8-13-15-12(9-11(2)19(13)16-10)14(20)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3.
What are the key properties of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 0.73, 1 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-5-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110849860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).