N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C20H20N4O — CID 56800368

IUPACN-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCc3cc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C20H20N4O/c1-14-10-11-24(23-14)18-8-6-15(7-9-18)20(25)21-13-17-12-16-4-2-3-5-19(16)22-17/h2-9,12,22H,10-11,13H2,1H3,(H,21,25)
InChIKeyICPFSKYQCJXDIZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.68
Rot. Bonds4

About N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 56800368) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID56800368
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCc3cc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C20H20N4O/c1-14-10-11-24(23-14)18-8-6-15(7-9-18)20(25)21-13-17-12-16-4-2-3-5-19(16)22-17/h2-9,12,22H,10-11,13H2,1H3,(H,21,25)
InChIKeyICPFSKYQCJXDIZ-UHFFFAOYSA-N
XLogP3.68
TPSA60.49 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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 56800368) is N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)NCc3cc4ccccc4[nH]3)cc2)CC1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is ICPFSKYQCJXDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-10-11-24(23-14)18-8-6-15(7-9-18)20(25)21-13-17-12-16-4-2-3-5-19(16)22-17/h2-9,12,22H,10-11,13H2,1H3,(H,21,25).
What are the key properties of N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 56800368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).