N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine

C13H21N5S — CID 55259433

IUPACN,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(C)Cc1scnc1C
InChIInChI=1S/C13H21N5S/c1-9-11(6-14-3)13(18(5)16-9)17(4)7-12-10(2)15-8-19-12/h8,14H,6-7H2,1-5H3
InChIKeyXHRCXUYYLFIIEV-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.85
Rot. Bonds5

About N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine

N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine (PubChem CID 55259433) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
PubChem CID55259433
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(C)Cc1scnc1C
InChIInChI=1S/C13H21N5S/c1-9-11(6-14-3)13(18(5)16-9)17(4)7-12-10(2)15-8-19-12/h8,14H,6-7H2,1-5H3
InChIKeyXHRCXUYYLFIIEV-UHFFFAOYSA-N
XLogP1.85
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.85
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-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine (CID 55259433) is N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine is CNCc1c(C)nn(C)c1N(C)Cc1scnc1C.
What is the InChIKey of N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine?
The InChIKey is XHRCXUYYLFIIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-9-11(6-14-3)13(18(5)16-9)17(4)7-12-10(2)15-8-19-12/h8,14H,6-7H2,1-5H3.
What are the key properties of N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine?
N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine has a molecular weight of 279.41 g/mol, XLogP of 1.85, 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-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 55259433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).