3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine

C10H20N4S — CID 103079611

IUPAC3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine
SMILESCCN(CC)CCSc1nn(C)cc1N
InChIInChI=1S/C10H20N4S/c1-4-14(5-2)6-7-15-10-9(11)8-13(3)12-10/h8H,4-7,11H2,1-3H3
InChIKeyCQCPVCUARPNQSA-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.44
Rot. Bonds6

About 3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine

3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine (PubChem CID 103079611) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine
PubChem CID103079611
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine
SMILESCCN(CC)CCSc1nn(C)cc1N
InChIInChI=1S/C10H20N4S/c1-4-14(5-2)6-7-15-10-9(11)8-13(3)12-10/h8H,4-7,11H2,1-3H3
InChIKeyCQCPVCUARPNQSA-UHFFFAOYSA-N
XLogP1.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine (CID 103079611) is 3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine is CCN(CC)CCSc1nn(C)cc1N.
What is the InChIKey of 3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine?
The InChIKey is CQCPVCUARPNQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-4-14(5-2)6-7-15-10-9(11)8-13(3)12-10/h8H,4-7,11H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine?
3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine has a molecular weight of 228.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).