N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide

C19H19N5O2S — CID 118959995

IUPACN-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(NS(C)(=O)=O)cc34)cc2)cn1
InChIInChI=1S/C19H19N5O2S/c1-24-12-15(11-20-24)14-5-3-13(4-6-14)9-19-17-10-16(23-27(2,25)26)7-8-18(17)21-22-19/h3-8,10-12,23H,9H2,1-2H3,(H,21,22)
InChIKeyDDMBDFURJHEOSG-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.93
Rot. Bonds5

About N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide

N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide (PubChem CID 118959995) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide
PubChem CID118959995
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(NS(C)(=O)=O)cc34)cc2)cn1
InChIInChI=1S/C19H19N5O2S/c1-24-12-15(11-20-24)14-5-3-13(4-6-14)9-19-17-10-16(23-27(2,25)26)7-8-18(17)21-22-19/h3-8,10-12,23H,9H2,1-2H3,(H,21,22)
InChIKeyDDMBDFURJHEOSG-UHFFFAOYSA-N
XLogP2.93
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide?
The IUPAC name of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide (CID 118959995) is N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(NS(C)(=O)=O)cc34)cc2)cn1.
What is the InChIKey of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide?
The InChIKey is DDMBDFURJHEOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-24-12-15(11-20-24)14-5-3-13(4-6-14)9-19-17-10-16(23-27(2,25)26)7-8-18(17)21-22-19/h3-8,10-12,23H,9H2,1-2H3,(H,21,22).
What are the key properties of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide?
N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide is sourced from PubChem (CID 118959995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).