1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C12H19ClN4OS — CID 120829599

IUPAC1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc2c(C)nn(C)c2s1.Cl
InChIInChI=1S/C12H18N4OS.ClH/c1-7(13-3)6-14-11(17)10-5-9-8(2)15-16(4)12(9)18-10;/h5,7,13H,6H2,1-4H3,(H,14,17);1H
InChIKeyKUAZHSBBTPBUBN-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.70
Rot. Bonds4

About 1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 120829599) has the molecular formula C12H19ClN4OS and a molecular weight of 302.83 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID120829599
Molecular FormulaC12H19ClN4OS
Molecular Weight302.83 g/mol
Exact Mass302.10
IUPAC Name1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc2c(C)nn(C)c2s1.Cl
InChIInChI=1S/C12H18N4OS.ClH/c1-7(13-3)6-14-11(17)10-5-9-8(2)15-16(4)12(9)18-10;/h5,7,13H,6H2,1-4H3,(H,14,17);1H
InChIKeyKUAZHSBBTPBUBN-UHFFFAOYSA-N
XLogP1.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 120829599) is 1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cc2c(C)nn(C)c2s1.Cl.
What is the InChIKey of 1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is KUAZHSBBTPBUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS.ClH/c1-7(13-3)6-14-11(17)10-5-9-8(2)15-16(4)12(9)18-10;/h5,7,13H,6H2,1-4H3,(H,14,17);1H.
What are the key properties of 1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 302.83 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120829599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).