1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine

C10H17N3O2S — CID 115045086

IUPAC1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine
SMILESCn1nc(C2(C)CCS(=O)(=O)CC2)cc1N
InChIInChI=1S/C10H17N3O2S/c1-10(3-5-16(14,15)6-4-10)8-7-9(11)13(2)12-8/h7H,3-6,11H2,1-2H3
InChIKeyHZPNMQIHSAVTSE-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.47
Rot. Bonds1

About 1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine

1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine (PubChem CID 115045086) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine
PubChem CID115045086
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine
SMILESCn1nc(C2(C)CCS(=O)(=O)CC2)cc1N
InChIInChI=1S/C10H17N3O2S/c1-10(3-5-16(14,15)6-4-10)8-7-9(11)13(2)12-8/h7H,3-6,11H2,1-2H3
InChIKeyHZPNMQIHSAVTSE-UHFFFAOYSA-N
XLogP0.47
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine (CID 115045086) is 1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine is Cn1nc(C2(C)CCS(=O)(=O)CC2)cc1N.
What is the InChIKey of 1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine?
The InChIKey is HZPNMQIHSAVTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(3-5-16(14,15)6-4-10)8-7-9(11)13(2)12-8/h7H,3-6,11H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine?
1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine has a molecular weight of 243.33 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-1,1-dioxothian-4-yl)pyrazol-5-amine is sourced from PubChem (CID 115045086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).