1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine

C18H24N6 — CID 72889557

IUPAC1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine
SMILESCCn1cc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)cn1
InChIInChI=1S/C18H24N6/c1-5-23-11-15(10-19-23)12-24-13-18(20-21-24)17-8-6-7-16(9-17)14(2)22(3)4/h6-11,13-14H,5,12H2,1-4H3
InChIKeyMLTFMMRGKVYCPB-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.83
Rot. Bonds6

About 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine

1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine (PubChem CID 72889557) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine
PubChem CID72889557
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine
SMILESCCn1cc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)cn1
InChIInChI=1S/C18H24N6/c1-5-23-11-15(10-19-23)12-24-13-18(20-21-24)17-8-6-7-16(9-17)14(2)22(3)4/h6-11,13-14H,5,12H2,1-4H3
InChIKeyMLTFMMRGKVYCPB-UHFFFAOYSA-N
XLogP2.83
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Fezolamine
CID 54567
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-(4-Methylbenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612069
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
alpha7 Agonists 17q
CID 57340861
alpha7 Agonists 17t
CID 57340882
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine?
The IUPAC name of 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine (CID 72889557) is 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine is CCn1cc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)cn1.
What is the InChIKey of 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine?
The InChIKey is MLTFMMRGKVYCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-5-23-11-15(10-19-23)12-24-13-18(20-21-24)17-8-6-7-16(9-17)14(2)22(3)4/h6-11,13-14H,5,12H2,1-4H3.
What are the key properties of 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine?
1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine has a molecular weight of 324.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 72889557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).