furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone

C14H13F3N4O3 — CID 110854696

IUPACfuran-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cn[nH]c2C(F)(F)F)CC1
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)11-9(8-18-19-11)12(22)20-3-5-21(6-4-20)13(23)10-2-1-7-24-10/h1-2,7-8H,3-6H2,(H,18,19)
InChIKeyNOWXZPZDFQBNIL-UHFFFAOYSA-N
MW342.28 g/mol
LogP1.62
Rot. Bonds2

About furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 110854696) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID110854696
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Namefuran-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cn[nH]c2C(F)(F)F)CC1
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)11-9(8-18-19-11)12(22)20-3-5-21(6-4-20)13(23)10-2-1-7-24-10/h1-2,7-8H,3-6H2,(H,18,19)
InChIKeyNOWXZPZDFQBNIL-UHFFFAOYSA-N
XLogP1.62
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
CID 25163116
1-(2-furoyl)-4-({4-nitro-1H-pyrazol-3-yl}carbonyl)piperazine
CID 1225626
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-furoyl)piperazine
CID 16191908
N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032631
1-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(2-furoyl)-1,4-diazepane
CID 16190438
1-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-4-(2-furoyl)-1,4-diazepane
CID 16189041
1-(2-furoyl)-4-{[3-(1-naphthyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 16190062
1-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(2-furoyl)piperazine
CID 16187820
N-(furan-2-ylmethyl)-5-methyl-1-(1-propan-2-ylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502127
(4-(furan-2-carbonyl)piperazin-1-yl)(1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanone
CID 49675641
(3-methylfuran-2-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 72121227
furan-2-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 72121323

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone (CID 110854696) is furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)c2cn[nH]c2C(F)(F)F)CC1.
What is the InChIKey of furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is NOWXZPZDFQBNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c15-14(16,17)11-9(8-18-19-11)12(22)20-3-5-21(6-4-20)13(23)10-2-1-7-24-10/h1-2,7-8H,3-6H2,(H,18,19).
What are the key properties of furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 342.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110854696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).