3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine

C11H19N3S — CID 79957725

IUPAC3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CCCSC1C
InChIInChI=1S/C11H19N3S/c1-7-11(8(2)14-13-7)12-10-5-4-6-15-9(10)3/h9-10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyANDUEXGBTMOUBL-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.72
Rot. Bonds2

About 3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine

3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine (PubChem CID 79957725) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine
PubChem CID79957725
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CCCSC1C
InChIInChI=1S/C11H19N3S/c1-7-11(8(2)14-13-7)12-10-5-4-6-15-9(10)3/h9-10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyANDUEXGBTMOUBL-UHFFFAOYSA-N
XLogP2.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine (CID 79957725) is 3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC1CCCSC1C.
What is the InChIKey of 3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine?
The InChIKey is ANDUEXGBTMOUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7-11(8(2)14-13-7)12-10-5-4-6-15-9(10)3/h9-10,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine?
3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 79957725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).