1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine

C15H20Cl2N4 — CID 114646518

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine
SMILESCN(C)CCn1ncc(Cl)c1C(N)Cc1cccc(Cl)c1
InChIInChI=1S/C15H20Cl2N4/c1-20(2)6-7-21-15(13(17)10-19-21)14(18)9-11-4-3-5-12(16)8-11/h3-5,8,10,14H,6-7,9,18H2,1-2H3
InChIKeyIZKMTKPYBQGCKU-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.99
Rot. Bonds6

About 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine (PubChem CID 114646518) has the molecular formula C15H20Cl2N4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine
PubChem CID114646518
Molecular FormulaC15H20Cl2N4
Molecular Weight327.26 g/mol
Exact Mass326.11
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine
SMILESCN(C)CCn1ncc(Cl)c1C(N)Cc1cccc(Cl)c1
InChIInChI=1S/C15H20Cl2N4/c1-20(2)6-7-21-15(13(17)10-19-21)14(18)9-11-4-3-5-12(16)8-11/h3-5,8,10,14H,6-7,9,18H2,1-2H3
InChIKeyIZKMTKPYBQGCKU-UHFFFAOYSA-N
XLogP2.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[amino-(3-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114646504
2-(2-bromophenyl)-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]ethanamine
CID 114650064
2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038998
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-amine
CID 105039116
2-(3-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114646525
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-phenylsulfanylethanamine
CID 114654273
2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039065
2-[5-[amino-(2-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114649283
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
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648348

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine (CID 114646518) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine is CN(C)CCn1ncc(Cl)c1C(N)Cc1cccc(Cl)c1.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine?
The InChIKey is IZKMTKPYBQGCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4/c1-20(2)6-7-21-15(13(17)10-19-21)14(18)9-11-4-3-5-12(16)8-11/h3-5,8,10,14H,6-7,9,18H2,1-2H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine has a molecular weight of 327.26 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 114646518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).