1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

C16H16F3N3O2 — CID 70758506

IUPAC1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)11-2-1-3-13(10-11)24-12-5-8-22(9-6-12)15(23)14-4-7-20-21-14/h1-4,7,10,12H,5-6,8-9H2,(H,20,21)
InChIKeySPAXAWKOKHYRGQ-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.11
Rot. Bonds3

About 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 70758506) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
PubChem CID70758506
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)11-2-1-3-13(10-11)24-12-5-8-22(9-6-12)15(23)14-4-7-20-21-14/h1-4,7,10,12H,5-6,8-9H2,(H,20,21)
InChIKeySPAXAWKOKHYRGQ-UHFFFAOYSA-N
XLogP3.11
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-{(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide
CID 9698850
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 723663
N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-pyrazole-5-carboxamide
CID 44442104
2-[4-oxo-2-(3-piperidin-1-ylpropoxy)-6-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 49865507
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 89463230
3-{1-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}-N-(3-methoxybenzyl)propanamide
CID 16190988
(3-isopropoxyphenyl)(1-{[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-3-piperidinyl)methanone
CID 24790464
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-(1H-pyrazol-5-yl)phenoxy]propan-1-one
CID 45485407
[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 24791987
N-(((1s,4s)-4-(phenoxymethyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide
CID 44442102
N-(3-methoxybenzyl)-3-{1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]piperidin-3-yl}propanamide
CID 16188260
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(3-methoxybenzoyl)piperazine
CID 16190351

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (CID 70758506) is 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is O=C(c1ccn[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is SPAXAWKOKHYRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)11-2-1-3-13(10-11)24-12-5-8-22(9-6-12)15(23)14-4-7-20-21-14/h1-4,7,10,12H,5-6,8-9H2,(H,20,21).
What are the key properties of 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 339.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 70758506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).