N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide

C24H25N5O2 — CID 86874806

IUPACN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccccc3-n3cccn3)ccc21
InChIInChI=1S/C24H25N5O2/c1-3-27(4-2)23(30)17-28-15-12-18-16-19(10-11-21(18)28)26-24(31)20-8-5-6-9-22(20)29-14-7-13-25-29/h5-16H,3-4,17H2,1-2H3,(H,26,31)
InChIKeyONXZZJFWTSYNTG-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.95
Rot. Bonds7

About N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide (PubChem CID 86874806) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide
PubChem CID86874806
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccccc3-n3cccn3)ccc21
InChIInChI=1S/C24H25N5O2/c1-3-27(4-2)23(30)17-28-15-12-18-16-19(10-11-21(18)28)26-24(31)20-8-5-6-9-22(20)29-14-7-13-25-29/h5-16H,3-4,17H2,1-2H3,(H,26,31)
InChIKeyONXZZJFWTSYNTG-UHFFFAOYSA-N
XLogP3.95
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
CID 86874773
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 86875792
4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
CID 86874780
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
N-(1H-indazol-5-yl)-2-pyrazol-1-ylbenzamide
CID 87000919
2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889821
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86885257
2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889777
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide
CID 86887844
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86874777

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide (CID 86874806) is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccccc3-n3cccn3)ccc21.
What is the InChIKey of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide?
The InChIKey is ONXZZJFWTSYNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-27(4-2)23(30)17-28-15-12-18-16-19(10-11-21(18)28)26-24(31)20-8-5-6-9-22(20)29-14-7-13-25-29/h5-16H,3-4,17H2,1-2H3,(H,26,31).
What are the key properties of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide?
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide has a molecular weight of 415.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 86874806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).