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

C20H19N5O — CID 118960270

IUPACN-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C20H19N5O/c1-13(26)22-17-7-8-19-18(10-17)20(24-23-19)9-14-3-5-15(6-4-14)16-11-21-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyZWTOETHVOACJIW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.51
Rot. Bonds4

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

N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide (PubChem CID 118960270) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide
PubChem CID118960270
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C20H19N5O/c1-13(26)22-17-7-8-19-18(10-17)20(24-23-19)9-14-3-5-15(6-4-14)16-11-21-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyZWTOETHVOACJIW-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]acetamide?
The IUPAC name of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide (CID 118960270) is N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide.
What is the SMILES notation for N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide?
The canonical SMILES for N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide is CC(=O)Nc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1.
What is the InChIKey of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide?
The InChIKey is ZWTOETHVOACJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13(26)22-17-7-8-19-18(10-17)20(24-23-19)9-14-3-5-15(6-4-14)16-11-21-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide?
N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide has a molecular weight of 345.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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]acetamide is sourced from PubChem (CID 118960270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).