4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine

C8H15N3O2S — CID 107766279

IUPAC4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine
SMILESCCC(C)CS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H15N3O2S/c1-3-6(2)5-14(12,13)7-4-10-11-8(7)9/h4,6H,3,5H2,1-2H3,(H3,9,10,11)
InChIKeyBSGABFMBXXJELP-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.81
Rot. Bonds4

About 4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine

4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine (PubChem CID 107766279) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine
PubChem CID107766279
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine
SMILESCCC(C)CS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H15N3O2S/c1-3-6(2)5-14(12,13)7-4-10-11-8(7)9/h4,6H,3,5H2,1-2H3,(H3,9,10,11)
InChIKeyBSGABFMBXXJELP-UHFFFAOYSA-N
XLogP0.81
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine (CID 107766279) is 4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine is CCC(C)CS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine?
The InChIKey is BSGABFMBXXJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-6(2)5-14(12,13)7-4-10-11-8(7)9/h4,6H,3,5H2,1-2H3,(H3,9,10,11).
What are the key properties of 4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine?
4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine has a molecular weight of 217.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 107766279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).