N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C17H20Cl2N4OS — CID 119498714

IUPACN-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCC(C)N)cc12.Cl
InChIInChI=1S/C17H19ClN4OS.ClH/c1-10(19)7-8-20-16(23)15-9-14-11(2)21-22(17(14)24-15)13-5-3-12(18)4-6-13;/h3-6,9-10H,7-8,19H2,1-2H3,(H,20,23);1H
InChIKeyGOANWVBTGDQRPK-UHFFFAOYSA-N
MW399.35 g/mol
LogP3.94
Rot. Bonds5

About N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 119498714) has the molecular formula C17H20Cl2N4OS and a molecular weight of 399.35 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID119498714
Molecular FormulaC17H20Cl2N4OS
Molecular Weight399.35 g/mol
Exact Mass398.07
IUPAC NameN-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCC(C)N)cc12.Cl
InChIInChI=1S/C17H19ClN4OS.ClH/c1-10(19)7-8-20-16(23)15-9-14-11(2)21-22(17(14)24-15)13-5-3-12(18)4-6-13;/h3-6,9-10H,7-8,19H2,1-2H3,(H,20,23);1H
InChIKeyGOANWVBTGDQRPK-UHFFFAOYSA-N
XLogP3.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 119498714) is N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCC(C)N)cc12.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is GOANWVBTGDQRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4OS.ClH/c1-10(19)7-8-20-16(23)15-9-14-11(2)21-22(17(14)24-15)13-5-3-12(18)4-6-13;/h3-6,9-10H,7-8,19H2,1-2H3,(H,20,23);1H.
What are the key properties of N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 399.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119498714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).