(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone

C18H22FN3O2 — CID 46957568

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(Oc3ccccc3F)CC2)n(C)n1
InChIInChI=1S/C18H22FN3O2/c1-3-13-12-16(21(2)20-13)18(23)22-10-8-14(9-11-22)24-17-7-5-4-6-15(17)19/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeyZWFBQDNEPHUYGB-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.81
Rot. Bonds4

About (3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone

(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 46957568) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID46957568
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(Oc3ccccc3F)CC2)n(C)n1
InChIInChI=1S/C18H22FN3O2/c1-3-13-12-16(21(2)20-13)18(23)22-10-8-14(9-11-22)24-17-7-5-4-6-15(17)19/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeyZWFBQDNEPHUYGB-UHFFFAOYSA-N
XLogP2.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289
(3-bromopyrrolidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80677421
(3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone
CID 46955947
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114801021
(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 66120759
[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 24819516
ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 4015862
(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105100921
[3-(3,4-difluoroanilino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 24791396
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone (CID 46957568) is (3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCC(Oc3ccccc3F)CC2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is ZWFBQDNEPHUYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-3-13-12-16(21(2)20-13)18(23)22-10-8-14(9-11-22)24-17-7-5-4-6-15(17)19/h4-7,12,14H,3,8-11H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 331.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 46957568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).