4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride

C13H20Cl2N4S — CID 51105339

IUPAC4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride
SMILESCc1nn(C)c(N(C)C)c1CNCc1ccc(Cl)s1.Cl
InChIInChI=1S/C13H19ClN4S.ClH/c1-9-11(13(17(2)3)18(4)16-9)8-15-7-10-5-6-12(14)19-10;/h5-6,15H,7-8H2,1-4H3;1H
InChIKeyJXXWVHOKHSPUDX-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.22
Rot. Bonds5

About 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride

4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride (PubChem CID 51105339) has the molecular formula C13H20Cl2N4S and a molecular weight of 335.30 g/mol. Its IUPAC name is 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride
PubChem CID51105339
Molecular FormulaC13H20Cl2N4S
Molecular Weight335.30 g/mol
Exact Mass334.08
IUPAC Name4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride
SMILESCc1nn(C)c(N(C)C)c1CNCc1ccc(Cl)s1.Cl
InChIInChI=1S/C13H19ClN4S.ClH/c1-9-11(13(17(2)3)18(4)16-9)8-15-7-10-5-6-12(14)19-10;/h5-6,15H,7-8H2,1-4H3;1H
InChIKeyJXXWVHOKHSPUDX-UHFFFAOYSA-N
XLogP3.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride?
The IUPAC name of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride (CID 51105339) is 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride.
What is the SMILES notation for 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride?
The canonical SMILES for 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride is Cc1nn(C)c(N(C)C)c1CNCc1ccc(Cl)s1.Cl.
What is the InChIKey of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride?
The InChIKey is JXXWVHOKHSPUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4S.ClH/c1-9-11(13(17(2)3)18(4)16-9)8-15-7-10-5-6-12(14)19-10;/h5-6,15H,7-8H2,1-4H3;1H.
What are the key properties of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride?
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride has a molecular weight of 335.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride is sourced from PubChem (CID 51105339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).