N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide

C15H19ClN6O2S — CID 59931889

IUPACN-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide
SMILESCc1[nH]n2c(C(C)N(C)c3ccc(NS(C)(=O)=O)cc3)nnc2c1Cl
InChIInChI=1S/C15H19ClN6O2S/c1-9-13(16)15-18-17-14(22(15)19-9)10(2)21(3)12-7-5-11(6-8-12)20-25(4,23)24/h5-8,10,19-20H,1-4H3
InChIKeyMBGNMABSZKFPSY-UHFFFAOYSA-N
MW382.88 g/mol
LogP2.59
Rot. Bonds5

About N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide

N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide (PubChem CID 59931889) has the molecular formula C15H19ClN6O2S and a molecular weight of 382.88 g/mol. Its IUPAC name is N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide
PubChem CID59931889
Molecular FormulaC15H19ClN6O2S
Molecular Weight382.88 g/mol
Exact Mass382.10
IUPAC NameN-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide
SMILESCc1[nH]n2c(C(C)N(C)c3ccc(NS(C)(=O)=O)cc3)nnc2c1Cl
InChIInChI=1S/C15H19ClN6O2S/c1-9-13(16)15-18-17-14(22(15)19-9)10(2)21(3)12-7-5-11(6-8-12)20-25(4,23)24/h5-8,10,19-20H,1-4H3
InChIKeyMBGNMABSZKFPSY-UHFFFAOYSA-N
XLogP2.59
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide (CID 59931889) is N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide is Cc1[nH]n2c(C(C)N(C)c3ccc(NS(C)(=O)=O)cc3)nnc2c1Cl.
What is the InChIKey of N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide?
The InChIKey is MBGNMABSZKFPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O2S/c1-9-13(16)15-18-17-14(22(15)19-9)10(2)21(3)12-7-5-11(6-8-12)20-25(4,23)24/h5-8,10,19-20H,1-4H3.
What are the key properties of N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide?
N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide has a molecular weight of 382.88 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 59931889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).