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

C15H20Cl2N4 — CID 105039065

IUPAC2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1ccc(Cl)cc1C(N)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C15H20Cl2N4/c1-10-4-5-11(16)8-12(10)14(18)15-13(17)9-19-21(15)7-6-20(2)3/h4-5,8-9,14H,6-7,18H2,1-3H3
InChIKeyDYAPQTBARXITHF-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.11
Rot. Bonds5

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

2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105039065) has the molecular formula C15H20Cl2N4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105039065
Molecular FormulaC15H20Cl2N4
Molecular Weight327.26 g/mol
Exact Mass326.11
IUPAC Name2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1ccc(Cl)cc1C(N)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C15H20Cl2N4/c1-10-4-5-11(16)8-12(10)14(18)15-13(17)9-19-21(15)7-6-20(2)3/h4-5,8-9,14H,6-7,18H2,1-3H3
InChIKeyDYAPQTBARXITHF-UHFFFAOYSA-N
XLogP3.11
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.11
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
2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182391
2-[5-[amino-(4,5-dimethylthiophen-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039108
2-[5-[amino-(2,6-dimethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107503284
2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038998
2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114659898
2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182395
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine
CID 114646518
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,3-dimethylbutan-1-amine
CID 105039130
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethanamine
CID 103517108
2-[5-[amino-(5-bromofuran-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039087

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (CID 105039065) is 2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is Cc1ccc(Cl)cc1C(N)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is DYAPQTBARXITHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4/c1-10-4-5-11(16)8-12(10)14(18)15-13(17)9-19-21(15)7-6-20(2)3/h4-5,8-9,14H,6-7,18H2,1-3H3.
What are the key properties of 2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 327.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105039065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).