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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Related Compounds

3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 154815729
2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136218660
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[3-(1H-pyrazol-4-yl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 137632753
N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 164621314
N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
CID 10469531
n-Phenyl-1h-indazole-5-carboxamide
CID 22933429
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 50997019
N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
CID 68520214
N-(4-(1H-Pyrazol-4-yl)phenyl)-3-phenylpropanamide
CID 70896884
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238989
(3,3-difluoroazetidin-1-yl)-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanone
CID 118959784

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).