N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

C20H18N4O3 — CID 56744075

IUPACN-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cccc2c1C(NC(=O)c1cc(COc3ccccc3)[nH]n1)C(=O)N2
InChIInChI=1S/C20H18N4O3/c1-12-6-5-9-15-17(12)18(20(26)21-15)22-19(25)16-10-13(23-24-16)11-27-14-7-3-2-4-8-14/h2-10,18H,11H2,1H3,(H,21,26)(H,22,25)(H,23,24)
InChIKeyWMXYKUBJJYJRQM-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.72
Rot. Bonds5

About N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56744075) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
PubChem CID56744075
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cccc2c1C(NC(=O)c1cc(COc3ccccc3)[nH]n1)C(=O)N2
InChIInChI=1S/C20H18N4O3/c1-12-6-5-9-15-17(12)18(20(26)21-15)22-19(25)16-10-13(23-24-16)11-27-14-7-3-2-4-8-14/h2-10,18H,11H2,1H3,(H,21,26)(H,22,25)(H,23,24)
InChIKeyWMXYKUBJJYJRQM-UHFFFAOYSA-N
XLogP2.72
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (CID 56744075) is N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is Cc1cccc2c1C(NC(=O)c1cc(COc3ccccc3)[nH]n1)C(=O)N2.
What is the InChIKey of N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WMXYKUBJJYJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-6-5-9-15-17(12)18(20(26)21-15)22-19(25)16-10-13(23-24-16)11-27-14-7-3-2-4-8-14/h2-10,18H,11H2,1H3,(H,21,26)(H,22,25)(H,23,24).
What are the key properties of N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56744075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).