(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid

C10H14N4O3S — CID 154700102

IUPAC(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid
SMILESCCCCc1cc(NS(=O)(=O)O)n2nccc2n1
InChIInChI=1S/C10H14N4O3S/c1-2-3-4-8-7-10(13-18(15,16)17)14-9(12-8)5-6-11-14/h5-7,13H,2-4H2,1H3,(H,15,16,17)
InChIKeyYCEGAALFECPYAS-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.29
Rot. Bonds5

About (5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid

(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid (PubChem CID 154700102) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is (5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid.

Molecular Properties

Compound Name(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid
PubChem CID154700102
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid
SMILESCCCCc1cc(NS(=O)(=O)O)n2nccc2n1
InChIInChI=1S/C10H14N4O3S/c1-2-3-4-8-7-10(13-18(15,16)17)14-9(12-8)5-6-11-14/h5-7,13H,2-4H2,1H3,(H,15,16,17)
InChIKeyYCEGAALFECPYAS-UHFFFAOYSA-N
XLogP1.29
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
Istisociclib
CID 146502834
3-Bromo-7-ethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 20324960
3-Bromo-5-methyl-7-propylpyrazolo[1,5-a]pyrimidine
CID 20324962
3-Bromo-5,7-diethylpyrazolo[1,5-a]pyrimidine
CID 20324963
5-(Piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318088
7-Amino-5-n-butylpyrazolo[1,5-a]pyrimidine
CID 19709702
2170137-61-6 (Free base)
CID 153488764
5-methyl-N-[(E)-octadec-9-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 12366067
N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 2819058
5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 14422514
3-Bromo-5,7-di-n-butylpyrazolo[1,5-a]pyrimidine
CID 20324952

Frequently Asked Questions

What is the IUPAC name of (5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid?
The IUPAC name of (5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid (CID 154700102) is (5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid.
What is the SMILES notation for (5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid?
The canonical SMILES for (5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid is CCCCc1cc(NS(=O)(=O)O)n2nccc2n1.
What is the InChIKey of (5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid?
The InChIKey is YCEGAALFECPYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-2-3-4-8-7-10(13-18(15,16)17)14-9(12-8)5-6-11-14/h5-7,13H,2-4H2,1H3,(H,15,16,17).
What are the key properties of (5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid?
(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid has a molecular weight of 270.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid is sourced from PubChem (CID 154700102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).