1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine

C10H19N3O2S — CID 66016865

IUPAC1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine
SMILESCCCc1nn(C)c(S(=O)(=O)CCC)c1N
InChIInChI=1S/C10H19N3O2S/c1-4-6-8-9(11)10(13(3)12-8)16(14,15)7-5-2/h4-7,11H2,1-3H3
InChIKeyCUPGROCRMQTRDJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.14
Rot. Bonds5

About 1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine

1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine (PubChem CID 66016865) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine
PubChem CID66016865
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine
SMILESCCCc1nn(C)c(S(=O)(=O)CCC)c1N
InChIInChI=1S/C10H19N3O2S/c1-4-6-8-9(11)10(13(3)12-8)16(14,15)7-5-2/h4-7,11H2,1-3H3
InChIKeyCUPGROCRMQTRDJ-UHFFFAOYSA-N
XLogP1.14
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine?
The IUPAC name of 1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine (CID 66016865) is 1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine is CCCc1nn(C)c(S(=O)(=O)CCC)c1N.
What is the InChIKey of 1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine?
The InChIKey is CUPGROCRMQTRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-6-8-9(11)10(13(3)12-8)16(14,15)7-5-2/h4-7,11H2,1-3H3.
What are the key properties of 1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine?
1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine has a molecular weight of 245.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine is sourced from PubChem (CID 66016865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).