2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine

C14H23ClN6 — CID 105182395

IUPAC2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCn1nc(C)cc1C(N)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C14H23ClN6/c1-5-20-12(8-10(2)18-20)13(16)14-11(15)9-17-21(14)7-6-19(3)4/h8-9,13H,5-7,16H2,1-4H3
InChIKeyBCHQFWNAEBRMHV-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.67
Rot. Bonds6

About 2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105182395) has the molecular formula C14H23ClN6 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105182395
Molecular FormulaC14H23ClN6
Molecular Weight310.83 g/mol
Exact Mass310.17
IUPAC Name2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCn1nc(C)cc1C(N)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C14H23ClN6/c1-5-20-12(8-10(2)18-20)13(16)14-11(15)9-17-21(14)7-6-19(3)4/h8-9,13H,5-7,16H2,1-4H3
InChIKeyBCHQFWNAEBRMHV-UHFFFAOYSA-N
XLogP1.67
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[amino-(2,6-dimethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107503284
2-[5-[amino-(4,5-dimethylthiophen-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039108
2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182391
2-[5-[amino-(5-chloro-2-methylphenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039065
2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038998
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]hexan-1-amine
CID 105039116
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-(3-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114646504
2-[5-[amino-(2-methyl-1,3-thiazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182393
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105183128

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (CID 105182395) is 2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is CCn1nc(C)cc1C(N)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is BCHQFWNAEBRMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN6/c1-5-20-12(8-10(2)18-20)13(16)14-11(15)9-17-21(14)7-6-19(3)4/h8-9,13H,5-7,16H2,1-4H3.
What are the key properties of 2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 310.83 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105182395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).