2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine

C20H21F2N3O — CID 118430523

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine
SMILESCCOc1nn(-c2ccc(C(C)(F)F)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C20H21F2N3O/c1-4-26-19-17(12-15-8-6-5-7-9-15)14(2)25(24-19)18-11-10-16(13-23-18)20(3,21)22/h5-11,13H,4,12H2,1-3H3
InChIKeyVXMCIPQPNYQWPF-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.68
Rot. Bonds6

About 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine (PubChem CID 118430523) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine
PubChem CID118430523
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine
SMILESCCOc1nn(-c2ccc(C(C)(F)F)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C20H21F2N3O/c1-4-26-19-17(12-15-8-6-5-7-9-15)14(2)25(24-19)18-11-10-16(13-23-18)20(3,21)22/h5-11,13H,4,12H2,1-3H3
InChIKeyVXMCIPQPNYQWPF-UHFFFAOYSA-N
XLogP4.68
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine
CID 122180735
2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430650
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine
CID 118430641
2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66020937
2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 46485961
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 61237579
2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 47047947
1-[5-[[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859581
2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
CID 134947582
5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine
CID 68745760
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol
CID 1478286

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine (CID 118430523) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine is CCOc1nn(-c2ccc(C(C)(F)F)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine?
The InChIKey is VXMCIPQPNYQWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c1-4-26-19-17(12-15-8-6-5-7-9-15)14(2)25(24-19)18-11-10-16(13-23-18)20(3,21)22/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine has a molecular weight of 357.40 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine is sourced from PubChem (CID 118430523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).