7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

C17H19N5O2S — CID 56902175

IUPAC7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n2nccc2n1
InChIInChI=1S/C17H19N5O2S/c1-14-13-17(22-16(19-14)7-8-18-22)20-9-11-21(12-10-20)25(23,24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyVGCNKBUAPBKVGZ-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.55
Rot. Bonds3

About 7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 56902175) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID56902175
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n2nccc2n1
InChIInChI=1S/C17H19N5O2S/c1-14-13-17(22-16(19-14)7-8-18-22)20-9-11-21(12-10-20)25(23,24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyVGCNKBUAPBKVGZ-UHFFFAOYSA-N
XLogP1.55
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 110874095
7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 56883180
2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole
CID 70745553
3-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 155798955
2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 70002661
7-[4-(benzenesulfonyl)piperazin-1-yl]-2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2822763
1-(benzenesulfonyl)-4-(4-methyl-2-pyridinyl)-1,4-diazepane
CID 136514751
6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139027758
5-ethyl-7-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 70723679
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780877
1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619879
2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899976

Frequently Asked Questions

What is the IUPAC name of 7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (CID 56902175) is 7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n2nccc2n1.
What is the InChIKey of 7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VGCNKBUAPBKVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-14-13-17(22-16(19-14)7-8-18-22)20-9-11-21(12-10-20)25(23,24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 357.44 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56902175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).