carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine

C17H17ClF5N3O3 — CID 160949403

IUPACcarbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
SMILESCCn1ncc(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F.O=C=O
InChIInChI=1S/C16H17ClF5N3O.CO2/c1-4-25-12(11(17)8-23-25)10-6-5-9(24-13(10)26-14(18)19)7-15(2,3)16(20,21)22;2-1-3/h5-6,8,14H,4,7H2,1-3H3;
InChIKeySVOAZDKMHYIVPO-UHFFFAOYSA-N
MW441.78 g/mol
LogP4.77
Rot. Bonds6

About carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine

carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine (PubChem CID 160949403) has the molecular formula C17H17ClF5N3O3 and a molecular weight of 441.78 g/mol. Its IUPAC name is carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Namecarbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
PubChem CID160949403
Molecular FormulaC17H17ClF5N3O3
Molecular Weight441.78 g/mol
Exact Mass441.09
IUPAC Namecarbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
SMILESCCn1ncc(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F.O=C=O
InChIInChI=1S/C16H17ClF5N3O.CO2/c1-4-25-12(11(17)8-23-25)10-6-5-9(24-13(10)26-14(18)19)7-15(2,3)16(20,21)22;2-1-3/h5-6,8,14H,4,7H2,1-3H3;
InChIKeySVOAZDKMHYIVPO-UHFFFAOYSA-N
XLogP4.77
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.78
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-N-[(1,2-dihydroxy-4-methylsulfonylcyclohexyl)methyl]-1-ethylpyrazole-3-carboxamide
CID 146285928
4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
CID 153296749
4-chloro-5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;sulfur dioxide
CID 161375407
5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-N-[(1,2-dihydroxy-4-methylsulfonylcyclohexyl)methyl]-1-ethyl-4-methylpyrazole-3-carboxamide
CID 146285954
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1,3-diethylpyrazole
CID 153295995
6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine
CID 153296742
5-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,3-dimethylbutyl)-4-ethylpyridine
CID 153296689
4-chloro-5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296722
4-chloro-5-[4-(difluoromethyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 146285871
4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]pyrazole-3-carboxylic acid
CID 155797848
4-chloro-1-ethyl-5-fluoropyrazole
CID 105429239

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
The IUPAC name of carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine (CID 160949403) is carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine.
What is the SMILES notation for carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
The canonical SMILES for carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine is CCn1ncc(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F.O=C=O.
What is the InChIKey of carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
The InChIKey is SVOAZDKMHYIVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF5N3O.CO2/c1-4-25-12(11(17)8-23-25)10-6-5-9(24-13(10)26-14(18)19)7-15(2,3)16(20,21)22;2-1-3/h5-6,8,14H,4,7H2,1-3H3;.
What are the key properties of carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine has a molecular weight of 441.78 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 160949403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).