N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide

C20H20N4O — CID 72699977

IUPACN-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1
InChIInChI=1S/C20H20N4O/c1-21-20(25)15-4-2-14(3-5-15)13-24-9-8-17-10-16(6-7-19(17)24)18-11-22-23-12-18/h2-7,10-12H,8-9,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyVBNIXQNHOHBEFV-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.00
Rot. Bonds4

About N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide

N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide (PubChem CID 72699977) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
PubChem CID72699977
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1
InChIInChI=1S/C20H20N4O/c1-21-20(25)15-4-2-14(3-5-15)13-24-9-8-17-10-16(6-7-19(17)24)18-11-22-23-12-18/h2-7,10-12H,8-9,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyVBNIXQNHOHBEFV-UHFFFAOYSA-N
XLogP3.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The IUPAC name of N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide (CID 72699977) is N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide is CNC(=O)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1.
What is the InChIKey of N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The InChIKey is VBNIXQNHOHBEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-21-20(25)15-4-2-14(3-5-15)13-24-9-8-17-10-16(6-7-19(17)24)18-11-22-23-12-18/h2-7,10-12H,8-9,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide is sourced from PubChem (CID 72699977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).