N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride

C17H26ClN5O3S — CID 119465978

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCn1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)c1C.Cl
InChIInChI=1S/C17H25N5O3S.ClH/c1-4-10-22-13(3)16(12(2)21-22)17(23)20-14-6-5-7-15(11-14)26(24,25)19-9-8-18;/h5-7,11,19H,4,8-10,18H2,1-3H3,(H,20,23);1H
InChIKeyADYHMPUAYYJOTI-UHFFFAOYSA-N
MW415.95 g/mol
LogP1.82
Rot. Bonds8

About N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119465978) has the molecular formula C17H26ClN5O3S and a molecular weight of 415.95 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
PubChem CID119465978
Molecular FormulaC17H26ClN5O3S
Molecular Weight415.95 g/mol
Exact Mass415.14
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCn1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)c1C.Cl
InChIInChI=1S/C17H25N5O3S.ClH/c1-4-10-22-13(3)16(12(2)21-22)17(23)20-14-6-5-7-15(11-14)26(24,25)19-9-8-18;/h5-7,11,19H,4,8-10,18H2,1-3H3,(H,20,23);1H
InChIKeyADYHMPUAYYJOTI-UHFFFAOYSA-N
XLogP1.82
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride (CID 119465978) is N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride is CCCn1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)c1C.Cl.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is ADYHMPUAYYJOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S.ClH/c1-4-10-22-13(3)16(12(2)21-22)17(23)20-14-6-5-7-15(11-14)26(24,25)19-9-8-18;/h5-7,11,19H,4,8-10,18H2,1-3H3,(H,20,23);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 415.95 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119465978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).