3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine

C11H21N3S — CID 66028469

IUPAC3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1SCC(C)C
InChIInChI=1S/C11H21N3S/c1-5-6-14-11(15-7-8(2)3)10(12)9(4)13-14/h8H,5-7,12H2,1-4H3
InChIKeyVAONCVVFZXUXPV-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.93
Rot. Bonds5

About 3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine

3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine (PubChem CID 66028469) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine
PubChem CID66028469
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1SCC(C)C
InChIInChI=1S/C11H21N3S/c1-5-6-14-11(15-7-8(2)3)10(12)9(4)13-14/h8H,5-7,12H2,1-4H3
InChIKeyVAONCVVFZXUXPV-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine (CID 66028469) is 3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1SCC(C)C.
What is the InChIKey of 3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine?
The InChIKey is VAONCVVFZXUXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-6-14-11(15-7-8(2)3)10(12)9(4)13-14/h8H,5-7,12H2,1-4H3.
What are the key properties of 3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine?
3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine has a molecular weight of 227.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine is sourced from PubChem (CID 66028469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).