[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C17H19F3N4O2 — CID 52907374

IUPAC[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)26-15-4-2-14(3-5-15)16(25)23-11-8-22(9-12-23)10-13-24-7-1-6-21-24/h1-7H,8-13H2
InChIKeyGYFYUVLJJLAYLZ-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.24
Rot. Bonds5

About [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 52907374) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID52907374
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)26-15-4-2-14(3-5-15)16(25)23-11-8-22(9-12-23)10-13-24-7-1-6-21-24/h1-7H,8-13H2
InChIKeyGYFYUVLJJLAYLZ-UHFFFAOYSA-N
XLogP2.24
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
4-({1-[(dimethylamino)sulfonyl]-4-piperidinyl}oxy)-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 16187695
4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
CID 16191083
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-[4-(1-pyrrolidinylcarbonyl)phenoxy]piperidine
CID 24791615
[4-[[1-[(1-Isopropylpyrazol-4-yl)methyl]-4-piperidyl]oxy]phenyl]-pyrrolidino-methanone
CID 24819295
N-isopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24790444
2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-trifluoromethoxyphenyl)ethanone
CID 24811079
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-3-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884951
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-4-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884952
US10138229, Example 63
CID 73051164

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 52907374) is [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is GYFYUVLJJLAYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c18-17(19,20)26-15-4-2-14(3-5-15)16(25)23-11-8-22(9-12-23)10-13-24-7-1-6-21-24/h1-7H,8-13H2.
What are the key properties of [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 368.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 52907374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).