N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C15H21N7S — CID 72862942

IUPACN-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(Nc3c(N4CCCC4)nn(C)c3C)sc12
InChIInChI=1S/C15H21N7S/c1-9-12-14(21(4)18-9)17-15(23-12)16-11-10(2)20(3)19-13(11)22-7-5-6-8-22/h5-8H2,1-4H3,(H,16,17)
InChIKeyAJKWTMIXXDKUGZ-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.72
Rot. Bonds3

About N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72862942) has the molecular formula C15H21N7S and a molecular weight of 331.45 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72862942
Molecular FormulaC15H21N7S
Molecular Weight331.45 g/mol
Exact Mass331.16
IUPAC NameN-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(Nc3c(N4CCCC4)nn(C)c3C)sc12
InChIInChI=1S/C15H21N7S/c1-9-12-14(21(4)18-9)17-15(23-12)16-11-10(2)20(3)19-13(11)22-7-5-6-8-22/h5-8H2,1-4H3,(H,16,17)
InChIKeyAJKWTMIXXDKUGZ-UHFFFAOYSA-N
XLogP2.72
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72862942) is N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(Nc3c(N4CCCC4)nn(C)c3C)sc12.
What is the InChIKey of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is AJKWTMIXXDKUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7S/c1-9-12-14(21(4)18-9)17-15(23-12)16-11-10(2)20(3)19-13(11)22-7-5-6-8-22/h5-8H2,1-4H3,(H,16,17).
What are the key properties of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 331.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72862942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).