5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine

C18H26ClN3 — CID 153296689

IUPAC5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine
SMILESCCc1cc(CCC(C)(C)C)ncc1-c1c(Cl)cnn1CC
InChIInChI=1S/C18H26ClN3/c1-6-13-10-14(8-9-18(3,4)5)20-11-15(13)17-16(19)12-21-22(17)7-2/h10-12H,6-9H2,1-5H3
InChIKeyIQZFCHAIKLWVFA-UHFFFAOYSA-N
MW319.88 g/mol
LogP5.16
Rot. Bonds5

About 5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine

5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine (PubChem CID 153296689) has the molecular formula C18H26ClN3 and a molecular weight of 319.88 g/mol. Its IUPAC name is 5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine.

Molecular Properties

Compound Name5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine
PubChem CID153296689
Molecular FormulaC18H26ClN3
Molecular Weight319.88 g/mol
Exact Mass319.18
IUPAC Name5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine
SMILESCCc1cc(CCC(C)(C)C)ncc1-c1c(Cl)cnn1CC
InChIInChI=1S/C18H26ClN3/c1-6-13-10-14(8-9-18(3,4)5)20-11-15(13)17-16(19)12-21-22(17)7-2/h10-12H,6-9H2,1-5H3
InChIKeyIQZFCHAIKLWVFA-UHFFFAOYSA-N
XLogP5.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.88
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-1-ethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
CID 153296817
4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid
CID 146285779
(4-chloro-5-ethyl-2-pyridinyl)methanol
CID 119082270
carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
CID 160949403
3-(4-chloro-1-ethylpyrazol-5-yl)-5-fluorobenzoic acid
CID 164526916
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
4-chloro-1-ethyl-5-fluoropyrazole
CID 105429239
4-chloro-5-[4-(difluoromethoxy)-6-(3,3,3-trifluoropropyl)-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 146285876
carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 159854115
1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665007
3-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 114667019
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol
CID 114633784

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine?
The IUPAC name of 5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine (CID 153296689) is 5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine.
What is the SMILES notation for 5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine?
The canonical SMILES for 5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine is CCc1cc(CCC(C)(C)C)ncc1-c1c(Cl)cnn1CC.
What is the InChIKey of 5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine?
The InChIKey is IQZFCHAIKLWVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3/c1-6-13-10-14(8-9-18(3,4)5)20-11-15(13)17-16(19)12-21-22(17)7-2/h10-12H,6-9H2,1-5H3.
What are the key properties of 5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine?
5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine has a molecular weight of 319.88 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine is sourced from PubChem (CID 153296689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).