N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine

C21H20ClFN4 — CID 26402286

IUPACN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)Cc1cn(C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C21H20ClFN4/c1-26(13-19-10-15-9-18(23)6-7-20(15)24-19)11-16-12-27(2)25-21(16)14-4-3-5-17(22)8-14/h3-10,12,24H,11,13H2,1-2H3
InChIKeyPUVZUJHFUFZVMV-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.99
Rot. Bonds5

About N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine

N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine (PubChem CID 26402286) has the molecular formula C21H20ClFN4 and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine
PubChem CID26402286
Molecular FormulaC21H20ClFN4
Molecular Weight382.87 g/mol
Exact Mass382.14
IUPAC NameN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)Cc1cn(C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C21H20ClFN4/c1-26(13-19-10-15-9-18(23)6-7-20(15)24-19)11-16-12-27(2)25-21(16)14-4-3-5-17(22)8-14/h3-10,12,24H,11,13H2,1-2H3
InChIKeyPUVZUJHFUFZVMV-UHFFFAOYSA-N
XLogP4.99
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine?
The IUPAC name of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine (CID 26402286) is N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine is CN(Cc1cc2cc(F)ccc2[nH]1)Cc1cn(C)nc1-c1cccc(Cl)c1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine?
The InChIKey is PUVZUJHFUFZVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4/c1-26(13-19-10-15-9-18(23)6-7-20(15)24-19)11-16-12-27(2)25-21(16)14-4-3-5-17(22)8-14/h3-10,12,24H,11,13H2,1-2H3.
What are the key properties of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine?
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine has a molecular weight of 382.87 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 26402286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).