(1-methyl-3-phenylpyrazol-5-yl)sulfamic acid

C10H11N3O3S — CID 5327154

IUPAC(1-methyl-3-phenylpyrazol-5-yl)sulfamic acid
SMILESCn1nc(-c2ccccc2)cc1NS(=O)(=O)O
InChIInChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16)
InChIKeyOTZLVSGSRPNRFT-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.30
Rot. Bonds3

About (1-methyl-3-phenylpyrazol-5-yl)sulfamic acid

(1-methyl-3-phenylpyrazol-5-yl)sulfamic acid (PubChem CID 5327154) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is (1-methyl-3-phenylpyrazol-5-yl)sulfamic acid.

Molecular Properties

Compound Name(1-methyl-3-phenylpyrazol-5-yl)sulfamic acid
PubChem CID5327154
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name(1-methyl-3-phenylpyrazol-5-yl)sulfamic acid
SMILESCn1nc(-c2ccccc2)cc1NS(=O)(=O)O
InChIInChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16)
InChIKeyOTZLVSGSRPNRFT-UHFFFAOYSA-N
XLogP1.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)sulfamic acid?
The IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)sulfamic acid (CID 5327154) is (1-methyl-3-phenylpyrazol-5-yl)sulfamic acid.
What is the SMILES notation for (1-methyl-3-phenylpyrazol-5-yl)sulfamic acid?
The canonical SMILES for (1-methyl-3-phenylpyrazol-5-yl)sulfamic acid is Cn1nc(-c2ccccc2)cc1NS(=O)(=O)O.
What is the InChIKey of (1-methyl-3-phenylpyrazol-5-yl)sulfamic acid?
The InChIKey is OTZLVSGSRPNRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16).
What are the key properties of (1-methyl-3-phenylpyrazol-5-yl)sulfamic acid?
(1-methyl-3-phenylpyrazol-5-yl)sulfamic acid has a molecular weight of 253.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenylpyrazol-5-yl)sulfamic acid is sourced from PubChem (CID 5327154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).