3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide

C22H22N4O — CID 70711091

IUPAC3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2cccc(-n3cccn3)c2)[nH]c2ccccc12
InChIInChI=1S/C22H22N4O/c1-3-18-19-10-4-5-11-20(19)24-21(18)22(27)25(2)15-16-8-6-9-17(14-16)26-13-7-12-23-26/h4-14,24H,3,15H2,1-2H3
InChIKeyFVILEBNPJLPWTG-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.19
Rot. Bonds5

About 3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide

3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 70711091) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID70711091
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2cccc(-n3cccn3)c2)[nH]c2ccccc12
InChIInChI=1S/C22H22N4O/c1-3-18-19-10-4-5-11-20(19)24-21(18)22(27)25(2)15-16-8-6-9-17(14-16)26-13-7-12-23-26/h4-14,24H,3,15H2,1-2H3
InChIKeyFVILEBNPJLPWTG-UHFFFAOYSA-N
XLogP4.19
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
CID 70786181
N,3,5-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90649991
4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155913971
4-(difluoromethoxy)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 70751227
N,5-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 70760252
4-(4-fluorophenyl)-N-methyl-4-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]butanamide
CID 70738182
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70750092
N,2-dimethyl-3-morpholin-4-yl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 91843383
(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 70750518
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]oxolane-3-carboxamide
CID 70740916
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 70769748
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide (CID 70711091) is 3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide is CCc1c(C(=O)N(C)Cc2cccc(-n3cccn3)c2)[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is FVILEBNPJLPWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-18-19-10-4-5-11-20(19)24-21(18)22(27)25(2)15-16-8-6-9-17(14-16)26-13-7-12-23-26/h4-14,24H,3,15H2,1-2H3.
What are the key properties of 3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70711091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).