2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C15H19Cl2N3 — CID 30054388

IUPAC2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-10-14(11(2)20(3)19-10)9-18-7-6-12-4-5-13(16)8-15(12)17/h4-5,8,18H,6-7,9H2,1-3H3
InChIKeyGRCSUQSIRXSUNY-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.68
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 30054388) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID30054388
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-10-14(11(2)20(3)19-10)9-18-7-6-12-4-5-13(16)8-15(12)17/h4-5,8,18H,6-7,9H2,1-3H3
InChIKeyGRCSUQSIRXSUNY-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 19624880
1-(2,5-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79006355
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28738492
2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 43088170
2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539502
2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399352
N-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 86974953
1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112705196
2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80707891
1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 114281153
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209609

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 30054388) is 2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is Cc1nn(C)c(C)c1CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is GRCSUQSIRXSUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-10-14(11(2)20(3)19-10)9-18-7-6-12-4-5-13(16)8-15(12)17/h4-5,8,18H,6-7,9H2,1-3H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 312.24 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 30054388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).