N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine

C18H22ClN5 — CID 42529841

IUPACN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1nccn1CCN(C)Cc1cn(C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN5/c1-14-20-7-8-24(14)10-9-22(2)12-16-13-23(3)21-18(16)15-5-4-6-17(19)11-15/h4-8,11,13H,9-10,12H2,1-3H3
InChIKeyLPOVEVAZIWWGMH-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.38
Rot. Bonds6

About N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine

N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine (PubChem CID 42529841) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
PubChem CID42529841
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC NameN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1nccn1CCN(C)Cc1cn(C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN5/c1-14-20-7-8-24(14)10-9-22(2)12-16-13-23(3)21-18(16)15-5-4-6-17(19)11-15/h4-8,11,13H,9-10,12H2,1-3H3
InChIKeyLPOVEVAZIWWGMH-UHFFFAOYSA-N
XLogP3.38
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
CID 29150934
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79484639
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine
CID 26402286
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492888
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 22037207
N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
CID 131900895
N-methyl-2-(2-methylimidazol-1-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 74243230
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400
1-[(3-chlorophenyl)methyl]-1,2-dimethyl-3-[2-(2-methylimidazol-1-yl)ethyl]guanidine
CID 119132022
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The IUPAC name of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine (CID 42529841) is N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine is Cc1nccn1CCN(C)Cc1cn(C)nc1-c1cccc(Cl)c1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The InChIKey is LPOVEVAZIWWGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5/c1-14-20-7-8-24(14)10-9-22(2)12-16-13-23(3)21-18(16)15-5-4-6-17(19)11-15/h4-8,11,13H,9-10,12H2,1-3H3.
What are the key properties of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine has a molecular weight of 343.86 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 42529841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).