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

C13H21N5S — CID 55012211

IUPAC4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)Cc1cscn1
InChIInChI=1S/C13H21N5S/c1-5-14-6-12-10(2)16-18(4)13(12)17(3)7-11-8-19-9-15-11/h8-9,14H,5-7H2,1-4H3
InChIKeyLAUJIMDWFQPLBR-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.93
Rot. Bonds6

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

4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine (PubChem CID 55012211) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
PubChem CID55012211
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)Cc1cscn1
InChIInChI=1S/C13H21N5S/c1-5-14-6-12-10(2)16-18(4)13(12)17(3)7-11-8-19-9-15-11/h8-9,14H,5-7H2,1-4H3
InChIKeyLAUJIMDWFQPLBR-UHFFFAOYSA-N
XLogP1.93
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine (CID 55012211) is 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine is CCNCc1c(C)nn(C)c1N(C)Cc1cscn1.
What is the InChIKey of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The InChIKey is LAUJIMDWFQPLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-5-14-6-12-10(2)16-18(4)13(12)17(3)7-11-8-19-9-15-11/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine has a molecular weight of 279.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 55012211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).