3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine

C12H12ClF2N3O — CID 153296811

IUPAC3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
SMILESCCc1nn(C)c(-c2cnccc2OC(F)F)c1Cl
InChIInChI=1S/C12H12ClF2N3O/c1-3-8-10(13)11(18(2)17-8)7-6-16-5-4-9(7)19-12(14)15/h4-6,12H,3H2,1-2H3
InChIKeyUXFOISOCQIQVCR-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.30
Rot. Bonds4

About 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine

3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine (PubChem CID 153296811) has the molecular formula C12H12ClF2N3O and a molecular weight of 287.70 g/mol. Its IUPAC name is 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
PubChem CID153296811
Molecular FormulaC12H12ClF2N3O
Molecular Weight287.70 g/mol
Exact Mass287.06
IUPAC Name3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
SMILESCCc1nn(C)c(-c2cnccc2OC(F)F)c1Cl
InChIInChI=1S/C12H12ClF2N3O/c1-3-8-10(13)11(18(2)17-8)7-6-16-5-4-9(7)19-12(14)15/h4-6,12H,3H2,1-2H3
InChIKeyUXFOISOCQIQVCR-UHFFFAOYSA-N
XLogP3.30
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 161297245
carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine
CID 158439688
6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine
CID 153296742
5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine
CID 153296646
4-chloro-5-[2-(difluoromethoxy)-4-[(2S)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1,3-diethylpyrazole
CID 153295881
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1,3-diethylpyrazole
CID 153295995
4-[4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-3-ethylpyrazol-1-yl]butanenitrile
CID 153296255
4-(difluoromethoxy)-3-fluoropyridine
CID 121231957
4-chloro-5-[2-(difluoromethoxy)-4-(4,4,4-trifluoro-2,2-dimethylbutyl)phenyl]-1,3-diethylpyrazole
CID 153296144
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279877
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196221
ethyl 4-chloro-5-[2-(difluoromethoxy)-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-methylpyrazole-3-carboxylate
CID 146287485

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The IUPAC name of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine (CID 153296811) is 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine.
What is the SMILES notation for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The canonical SMILES for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine is CCc1nn(C)c(-c2cnccc2OC(F)F)c1Cl.
What is the InChIKey of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The InChIKey is UXFOISOCQIQVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N3O/c1-3-8-10(13)11(18(2)17-8)7-6-16-5-4-9(7)19-12(14)15/h4-6,12H,3H2,1-2H3.
What are the key properties of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine has a molecular weight of 287.70 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine is sourced from PubChem (CID 153296811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).