5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine

C21H22FN3O2 — CID 118430548

IUPAC5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCc1c(Oc2cccc(F)c2)c(OC(C)C)nn1-c1ccc(C2CC2)cn1
InChIInChI=1S/C21H22FN3O2/c1-13(2)26-21-20(27-18-6-4-5-17(22)11-18)14(3)25(24-21)19-10-9-16(12-23-19)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3
InChIKeyLVHTZHCPJJJAHX-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.17
Rot. Bonds6

About 5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine

5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine (PubChem CID 118430548) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
PubChem CID118430548
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCc1c(Oc2cccc(F)c2)c(OC(C)C)nn1-c1ccc(C2CC2)cn1
InChIInChI=1S/C21H22FN3O2/c1-13(2)26-21-20(27-18-6-4-5-17(22)11-18)14(3)25(24-21)19-10-9-16(12-23-19)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3
InChIKeyLVHTZHCPJJJAHX-UHFFFAOYSA-N
XLogP5.17
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dhodh-IN-1
CID 118430456
5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
CID 118430570
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
3-Cyclopropyl-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine
CID 118430682
4-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)pyrimidine
CID 71061106
4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methyl-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)pyrimidine
CID 76284283
2-(4-(2,6-difluorophenoxy)-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl)pyrimidine
CID 118430649
2-{[3,5-dimethyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]oxy}phenol
CID 2999618
4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine
CID 166631388
Ipp/cnrs-A019
CID 118430525

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The IUPAC name of 5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine (CID 118430548) is 5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine is Cc1c(Oc2cccc(F)c2)c(OC(C)C)nn1-c1ccc(C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The InChIKey is LVHTZHCPJJJAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13(2)26-21-20(27-18-6-4-5-17(22)11-18)14(3)25(24-21)19-10-9-16(12-23-19)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine has a molecular weight of 367.42 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine is sourced from PubChem (CID 118430548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).