(3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol

C12H17N3O3S — CID 67363569

IUPAC(3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol
SMILESCCCCCS(=O)(=O)c1cnn2c(CO)ccnc12
InChIInChI=1S/C12H17N3O3S/c1-2-3-4-7-19(17,18)11-8-14-15-10(9-16)5-6-13-12(11)15/h5-6,8,16H,2-4,7,9H2,1H3
InChIKeyAVHWZBHYAYTDBZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.19
Rot. Bonds6

About (3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol

(3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol (PubChem CID 67363569) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol.

Molecular Properties

Compound Name(3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol
PubChem CID67363569
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol
SMILESCCCCCS(=O)(=O)c1cnn2c(CO)ccnc12
InChIInChI=1S/C12H17N3O3S/c1-2-3-4-7-19(17,18)11-8-14-15-10(9-16)5-6-13-12(11)15/h5-6,8,16H,2-4,7,9H2,1H3
InChIKeyAVHWZBHYAYTDBZ-UHFFFAOYSA-N
XLogP1.19
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol?
The IUPAC name of (3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol (CID 67363569) is (3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol.
What is the SMILES notation for (3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol?
The canonical SMILES for (3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol is CCCCCS(=O)(=O)c1cnn2c(CO)ccnc12.
What is the InChIKey of (3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol?
The InChIKey is AVHWZBHYAYTDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-3-4-7-19(17,18)11-8-14-15-10(9-16)5-6-13-12(11)15/h5-6,8,16H,2-4,7,9H2,1H3.
What are the key properties of (3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol?
(3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol has a molecular weight of 283.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl)methanol is sourced from PubChem (CID 67363569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).