7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine

C21H25Cl2N3 — CID 67220286

IUPAC7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine
SMILESCCCCCCNc1c(CC)nn2c(-c3ccc(Cl)cc3Cl)cccc12
InChIInChI=1S/C21H25Cl2N3/c1-3-5-6-7-13-24-21-18(4-2)25-26-19(9-8-10-20(21)26)16-12-11-15(22)14-17(16)23/h8-12,14,24H,3-7,13H2,1-2H3
InChIKeyJXGAUOIMTIWVBM-UHFFFAOYSA-N
MW390.36 g/mol
LogP6.86
Rot. Bonds8

About 7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine

7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine (PubChem CID 67220286) has the molecular formula C21H25Cl2N3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine
PubChem CID67220286
Molecular FormulaC21H25Cl2N3
Molecular Weight390.36 g/mol
Exact Mass389.14
IUPAC Name7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine
SMILESCCCCCCNc1c(CC)nn2c(-c3ccc(Cl)cc3Cl)cccc12
InChIInChI=1S/C21H25Cl2N3/c1-3-5-6-7-13-24-21-18(4-2)25-26-19(9-8-10-20(21)26)16-12-11-15(22)14-17(16)23/h8-12,14,24H,3-7,13H2,1-2H3
InChIKeyJXGAUOIMTIWVBM-UHFFFAOYSA-N
XLogP6.86
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-decylaniline
CID 63489638
7-(4-chloro-2-methylphenyl)-2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyridin-3-amine
CID 142807776
7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine
CID 58764301
2-chloro-N-dodecyl-6-methylaniline
CID 66252343
2,6-diethyl-N-octylaniline
CID 63491055
N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]heptan-1-amine
CID 124826431
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 58764325
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
3-chloro-N-decyl-4-fluoroaniline
CID 83108687
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of 7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine (CID 67220286) is 7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for 7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine is CCCCCCNc1c(CC)nn2c(-c3ccc(Cl)cc3Cl)cccc12.
What is the InChIKey of 7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is JXGAUOIMTIWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3/c1-3-5-6-7-13-24-21-18(4-2)25-26-19(9-8-10-20(21)26)16-12-11-15(22)14-17(16)23/h8-12,14,24H,3-7,13H2,1-2H3.
What are the key properties of 7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine?
7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 390.36 g/mol, XLogP of 6.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 67220286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).