1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine

C21H22N4 — CID 110453329

IUPAC1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1cnn(Cc2ccccc2)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22N4/c1-24(2)21(19-13-22-20-11-7-6-10-18(19)20)17-12-23-25(15-17)14-16-8-4-3-5-9-16/h3-13,15,21-22H,14H2,1-2H3
InChIKeyQKJBJBSUADTIFS-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.06
Rot. Bonds5

About 1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine

1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine (PubChem CID 110453329) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine
PubChem CID110453329
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1cnn(Cc2ccccc2)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22N4/c1-24(2)21(19-13-22-20-11-7-6-10-18(19)20)17-12-23-25(15-17)14-16-8-4-3-5-9-16/h3-13,15,21-22H,14H2,1-2H3
InChIKeyQKJBJBSUADTIFS-UHFFFAOYSA-N
XLogP4.06
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 16568385
2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine
CID 83899641
1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole
CID 132990308
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
(E)-3-(1-benzylpyrazol-4-yl)-2-(1H-indole-3-carbonyl)prop-2-enenitrile
CID 18267675
N-benzyl-2-(1H-indol-3-yl)propan-1-amine
CID 132526366
N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline
CID 57379323
2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile
CID 130847177
N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide
CID 26741856
1-benzyl-N-[2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 42894629
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 27230847
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine (CID 110453329) is 1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine is CN(C)C(c1cnn(Cc2ccccc2)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is QKJBJBSUADTIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-24(2)21(19-13-22-20-11-7-6-10-18(19)20)17-12-23-25(15-17)14-16-8-4-3-5-9-16/h3-13,15,21-22H,14H2,1-2H3.
What are the key properties of 1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine?
1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 330.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 110453329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).