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

C13H21ClN6 — CID 105182391

IUPAC2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1c(C(N)c2c(Cl)cnn2CCN(C)C)cnn1C
InChIInChI=1S/C13H21ClN6/c1-9-10(7-16-19(9)4)12(15)13-11(14)8-17-20(13)6-5-18(2)3/h7-8,12H,5-6,15H2,1-4H3
InChIKeyJHEDONINEIVAJM-UHFFFAOYSA-N
MW296.81 g/mol
LogP1.19
Rot. Bonds5

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

2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105182391) has the molecular formula C13H21ClN6 and a molecular weight of 296.81 g/mol. Its IUPAC name is 2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105182391
Molecular FormulaC13H21ClN6
Molecular Weight296.81 g/mol
Exact Mass296.15
IUPAC Name2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1c(C(N)c2c(Cl)cnn2CCN(C)C)cnn1C
InChIInChI=1S/C13H21ClN6/c1-9-10(7-16-19(9)4)12(15)13-11(14)8-17-20(13)6-5-18(2)3/h7-8,12H,5-6,15H2,1-4H3
InChIKeyJHEDONINEIVAJM-UHFFFAOYSA-N
XLogP1.19
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.81
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[amino-(2-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114649283
2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039065
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
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-(4,5-dimethylthiophen-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039108
2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114659898
2-[5-[amino-(2-methyl-1,3-thiazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182393
2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182395
2-[5-[amino-(5-bromofuran-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039087
2-[5-[amino-(3-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114646504

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (CID 105182391) is 2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is Cc1c(C(N)c2c(Cl)cnn2CCN(C)C)cnn1C.
What is the InChIKey of 2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is JHEDONINEIVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6/c1-9-10(7-16-19(9)4)12(15)13-11(14)8-17-20(13)6-5-18(2)3/h7-8,12H,5-6,15H2,1-4H3.
What are the key properties of 2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 296.81 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105182391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).