2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine

C19H21N3 — CID 164680157

IUPAC2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H21N3/c1-21(2)13-14-22-15-18(16-9-5-3-6-10-16)19(20-22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyWUAQCSHPZLODRU-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.78
Rot. Bonds5

About 2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine

2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine (PubChem CID 164680157) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine
PubChem CID164680157
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H21N3/c1-21(2)13-14-22-15-18(16-9-5-3-6-10-16)19(20-22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyWUAQCSHPZLODRU-UHFFFAOYSA-N
XLogP3.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Difenzoquat
CID 39425
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Sant-1
CID 6878030
E-55888
CID 24825775
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine (CID 164680157) is 2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine is CN(C)CCn1cc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is WUAQCSHPZLODRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-21(2)13-14-22-15-18(16-9-5-3-6-10-16)19(20-22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine?
2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 291.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 164680157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).