2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine

C21H22FN3O — CID 118430641

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine
SMILESCCOc1nn(-c2ncc(C3CC3)cc2F)c(C)c1Cc1ccccc1
InChIInChI=1S/C21H22FN3O/c1-3-26-21-18(11-15-7-5-4-6-8-15)14(2)25(24-21)20-19(22)12-17(13-23-20)16-9-10-16/h4-8,12-13,16H,3,9-11H2,1-2H3
InChIKeyZXVWUEZCNHXWGY-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine (PubChem CID 118430641) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine
PubChem CID118430641
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine
SMILESCCOc1nn(-c2ncc(C3CC3)cc2F)c(C)c1Cc1ccccc1
InChIInChI=1S/C21H22FN3O/c1-3-26-21-18(11-15-7-5-4-6-8-15)14(2)25(24-21)20-19(22)12-17(13-23-20)16-9-10-16/h4-8,12-13,16H,3,9-11H2,1-2H3
InChIKeyZXVWUEZCNHXWGY-UHFFFAOYSA-N
XLogP4.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430650
5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine
CID 118430467
methyl 2-[(1-benzyl-4,6-difluoroindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate
CID 158695048
5-cyclopropyl-2-cyclopropyloxy-3-methylpyridine
CID 167079716
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513
2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole
CID 141491652
5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44633107
3-fluoro-2-methyl-5-(3-methylcyclopentyl)pyridine
CID 170760959
4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456251
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155685769
ethyl (5S)-1-benzyl-5-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxylate
CID 90809176
methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-phenylmethoxybenzoate
CID 146320222

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine (CID 118430641) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine is CCOc1nn(-c2ncc(C3CC3)cc2F)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine?
The InChIKey is ZXVWUEZCNHXWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-3-26-21-18(11-15-7-5-4-6-8-15)14(2)25(24-21)20-19(22)12-17(13-23-20)16-9-10-16/h4-8,12-13,16H,3,9-11H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine has a molecular weight of 351.43 g/mol, XLogP of 4.58, 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-cyclopropyl-3-fluoropyridine is sourced from PubChem (CID 118430641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).