5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide

C8H15N3O2S — CID 142587982

IUPAC5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide
SMILESCn1nc(S(N)=O)cc1CC(C)(C)O
InChIInChI=1S/C8H15N3O2S/c1-8(2,12)5-6-4-7(14(9)13)10-11(6)3/h4,12H,5,9H2,1-3H3
InChIKeyVGCVCDKECPJNCU-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.29
Rot. Bonds3

About 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide

5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide (PubChem CID 142587982) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide.

Molecular Properties

Compound Name5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide
PubChem CID142587982
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide
SMILESCn1nc(S(N)=O)cc1CC(C)(C)O
InChIInChI=1S/C8H15N3O2S/c1-8(2,12)5-6-4-7(14(9)13)10-11(6)3/h4,12H,5,9H2,1-3H3
InChIKeyVGCVCDKECPJNCU-UHFFFAOYSA-N
XLogP-0.29
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide?
The IUPAC name of 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide (CID 142587982) is 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide.
What is the SMILES notation for 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide?
The canonical SMILES for 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide is Cn1nc(S(N)=O)cc1CC(C)(C)O.
What is the InChIKey of 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide?
The InChIKey is VGCVCDKECPJNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-8(2,12)5-6-4-7(14(9)13)10-11(6)3/h4,12H,5,9H2,1-3H3.
What are the key properties of 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide?
5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide has a molecular weight of 217.29 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfinamide is sourced from PubChem (CID 142587982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).