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

C16H17N5O2S — CID 110874095

IUPAC7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C16H17N5O2S/c22-24(23,14-4-2-1-3-5-14)20-12-10-19(11-13-20)16-7-8-17-15-6-9-18-21(15)16/h1-9H,10-13H2
InChIKeySBCIISZWUGTGLC-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.24
Rot. Bonds3

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

7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 110874095) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID110874095
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C16H17N5O2S/c22-24(23,14-4-2-1-3-5-14)20-12-10-19(11-13-20)16-7-8-17-15-6-9-18-21(15)16/h1-9H,10-13H2
InChIKeySBCIISZWUGTGLC-UHFFFAOYSA-N
XLogP1.24
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56902175
CID 134796696
CID 134796696
1-(benzenesulfonyl)-4-(4-methyl-2-pyridinyl)-1,4-diazepane
CID 136514751
7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 56883180
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-bromopyrimidine
CID 39660614
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780877
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
7-[4-(benzenesulfonyl)piperazin-1-yl]-2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2822763

Frequently Asked Questions

What is the IUPAC name of 7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 110874095) is 7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is O=S(=O)(c1ccccc1)N1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is SBCIISZWUGTGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-24(23,14-4-2-1-3-5-14)20-12-10-19(11-13-20)16-7-8-17-15-6-9-18-21(15)16/h1-9H,10-13H2.
What are the key properties of 7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 343.41 g/mol, XLogP of 1.24, 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]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110874095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).