N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine

C12H19N5S — CID 55012163

IUPACN,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(C)Cc1cscn1
InChIInChI=1S/C12H19N5S/c1-9-11(5-13-2)12(17(4)15-9)16(3)6-10-7-18-8-14-10/h7-8,13H,5-6H2,1-4H3
InChIKeyZKPZXNXJTMVSRX-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.54
Rot. Bonds5

About N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine

N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine (PubChem CID 55012163) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
PubChem CID55012163
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(C)Cc1cscn1
InChIInChI=1S/C12H19N5S/c1-9-11(5-13-2)12(17(4)15-9)16(3)6-10-7-18-8-14-10/h7-8,13H,5-6H2,1-4H3
InChIKeyZKPZXNXJTMVSRX-UHFFFAOYSA-N
XLogP1.54
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine (CID 55012163) is N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine is CNCc1c(C)nn(C)c1N(C)Cc1cscn1.
What is the InChIKey of N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The InChIKey is ZKPZXNXJTMVSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-9-11(5-13-2)12(17(4)15-9)16(3)6-10-7-18-8-14-10/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine has a molecular weight of 265.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 55012163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).