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

C20H19N5O — CID 118960186

IUPACN-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C20H19N5O/c1-21-20(26)15-7-8-18-17(10-15)19(24-23-18)9-13-3-5-14(6-4-13)16-11-22-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyOHNXBYACIOVGBQ-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.91
Rot. Bonds4

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

N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide (PubChem CID 118960186) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
PubChem CID118960186
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C20H19N5O/c1-21-20(26)15-7-8-18-17(10-15)19(24-23-18)9-13-3-5-14(6-4-13)16-11-22-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyOHNXBYACIOVGBQ-UHFFFAOYSA-N
XLogP2.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide (CID 118960186) is N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide is CNC(=O)c1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1.
What is the InChIKey of N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The InChIKey is OHNXBYACIOVGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-21-20(26)15-7-8-18-17(10-15)19(24-23-18)9-13-3-5-14(6-4-13)16-11-22-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,21,26)(H,23,24).
What are the key properties of N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 118960186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).