N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide

C21H19ClN4O — CID 67974080

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H19ClN4O/c22-18-5-6-20-19(12-18)17(13-24-20)7-9-23-21(27)16-4-1-3-15(11-16)14-26-10-2-8-25-26/h1-6,8,10-13,24H,7,9,14H2,(H,23,27)
InChIKeyKUAGTXCCRHEPRW-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.04
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 67974080) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID67974080
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H19ClN4O/c22-18-5-6-20-19(12-18)17(13-24-20)7-9-23-21(27)16-4-1-3-15(11-16)14-26-10-2-8-25-26/h1-6,8,10-13,24H,7,9,14H2,(H,23,27)
InChIKeyKUAGTXCCRHEPRW-UHFFFAOYSA-N
XLogP4.04
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide (CID 67974080) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is KUAGTXCCRHEPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-18-5-6-20-19(12-18)17(13-24-20)7-9-23-21(27)16-4-1-3-15(11-16)14-26-10-2-8-25-26/h1-6,8,10-13,24H,7,9,14H2,(H,23,27).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 378.86 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 67974080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).