2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine

C14H17Cl3N4 — CID 105038998

IUPAC2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl3N4/c1-20(2)6-7-21-14(11(17)8-19-21)13(18)12-9(15)4-3-5-10(12)16/h3-5,8,13H,6-7,18H2,1-2H3
InChIKeyXHJIOHONBOAPPN-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.45
Rot. Bonds5

About 2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105038998) has the molecular formula C14H17Cl3N4 and a molecular weight of 347.68 g/mol. Its IUPAC name is 2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105038998
Molecular FormulaC14H17Cl3N4
Molecular Weight347.68 g/mol
Exact Mass346.05
IUPAC Name2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl3N4/c1-20(2)6-7-21-14(11(17)8-19-21)13(18)12-9(15)4-3-5-10(12)16/h3-5,8,13H,6-7,18H2,1-2H3
InChIKeyXHJIOHONBOAPPN-UHFFFAOYSA-N
XLogP3.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[amino-(2-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114649283
2-[5-[amino-(3-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114646504
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethanamine
CID 103517108
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,3-dimethylbutan-1-amine
CID 105039130
2-[5-[amino-(5-bromofuran-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039087
2-[5-[amino-(2,6-dimethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107503284
2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182391
(2-chloro-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054549
2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039065
2-[5-[amino-(2-chlorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114649288
2-[4-chloro-5-[(2-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105211079

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (CID 105038998) is 2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Cl)c1C(N)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is XHJIOHONBOAPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N4/c1-20(2)6-7-21-14(11(17)8-19-21)13(18)12-9(15)4-3-5-10(12)16/h3-5,8,13H,6-7,18H2,1-2H3.
What are the key properties of 2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 347.68 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105038998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).