3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine

C14H17F2N3 — CID 70915313

IUPAC3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine
SMILESCCC(C)c1cncc(-c2cnn(CC(F)F)c2)c1
InChIInChI=1S/C14H17F2N3/c1-3-10(2)11-4-12(6-17-5-11)13-7-18-19(8-13)9-14(15)16/h4-8,10,14H,3,9H2,1-2H3
InChIKeyIEOGXYJLDDZSFG-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.72
Rot. Bonds5

About 3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine

3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine (PubChem CID 70915313) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine
PubChem CID70915313
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine
SMILESCCC(C)c1cncc(-c2cnn(CC(F)F)c2)c1
InChIInChI=1S/C14H17F2N3/c1-3-10(2)11-4-12(6-17-5-11)13-7-18-19(8-13)9-14(15)16/h4-8,10,14H,3,9H2,1-2H3
InChIKeyIEOGXYJLDDZSFG-UHFFFAOYSA-N
XLogP3.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45268355
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442
3-(1-Benzylpyrazol-4-yl)pyridine
CID 42628230
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56861411
2-(1-Methylpyrazol-4-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137658011
N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine
CID 6899954
3-[2-(4-fluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 56865788

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine?
The IUPAC name of 3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine (CID 70915313) is 3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine is CCC(C)c1cncc(-c2cnn(CC(F)F)c2)c1.
What is the InChIKey of 3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine?
The InChIKey is IEOGXYJLDDZSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-10(2)11-4-12(6-17-5-11)13-7-18-19(8-13)9-14(15)16/h4-8,10,14H,3,9H2,1-2H3.
What are the key properties of 3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine?
3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine has a molecular weight of 265.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 70915313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).