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

C19H18N4O — CID 72699976

IUPAC4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1
InChIInChI=1S/C19H18N4O/c20-19(24)14-3-1-13(2-4-14)12-23-8-7-16-9-15(5-6-18(16)23)17-10-21-22-11-17/h1-6,9-11H,7-8,12H2,(H2,20,24)(H,21,22)
InChIKeyWYFVECYGPNDQJU-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.74
Rot. Bonds4

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

4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide (PubChem CID 72699976) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
PubChem CID72699976
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1
InChIInChI=1S/C19H18N4O/c20-19(24)14-3-1-13(2-4-14)12-23-8-7-16-9-15(5-6-18(16)23)17-10-21-22-11-17/h1-6,9-11H,7-8,12H2,(H2,20,24)(H,21,22)
InChIKeyWYFVECYGPNDQJU-UHFFFAOYSA-N
XLogP2.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The IUPAC name of 4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide (CID 72699976) is 4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1.
What is the InChIKey of 4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The InChIKey is WYFVECYGPNDQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c20-19(24)14-3-1-13(2-4-14)12-23-8-7-16-9-15(5-6-18(16)23)17-10-21-22-11-17/h1-6,9-11H,7-8,12H2,(H2,20,24)(H,21,22).
What are the key properties of 4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide has a molecular weight of 318.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide is sourced from PubChem (CID 72699976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).