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

C15H22ClN5 — CID 114659898

IUPAC2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCc1cnccc1C(N)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C15H22ClN5/c1-4-11-9-18-6-5-12(11)14(17)15-13(16)10-19-21(15)8-7-20(2)3/h5-6,9-10,14H,4,7-8,17H2,1-3H3
InChIKeyYAYQAGVPJUQVTQ-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.10
Rot. Bonds6

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

2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114659898) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114659898
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCc1cnccc1C(N)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C15H22ClN5/c1-4-11-9-18-6-5-12(11)14(17)15-13(16)10-19-21(15)8-7-20(2)3/h5-6,9-10,14H,4,7-8,17H2,1-3H3
InChIKeyYAYQAGVPJUQVTQ-UHFFFAOYSA-N
XLogP2.10
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine
CID 114659896
2-[5-[amino-(2-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114649283
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
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethylthiophen-2-yl)methanol
CID 115834330
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-(3-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114646504
2-[5-[amino-(2,6-dimethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107503284
2-[4-chloro-5-[ethylamino(pyridin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114647189

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (CID 114659898) is 2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is CCc1cnccc1C(N)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is YAYQAGVPJUQVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5/c1-4-11-9-18-6-5-12(11)14(17)15-13(16)10-19-21(15)8-7-20(2)3/h5-6,9-10,14H,4,7-8,17H2,1-3H3.
What are the key properties of 2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 307.83 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114659898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).