(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone

C19H17FN4O3 — CID 20910914

IUPAC(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H17FN4O3/c20-14-5-2-1-4-13(14)18(25)23-7-9-24(10-8-23)19(26)16-12-15(21-22-16)17-6-3-11-27-17/h1-6,11-12H,7-10H2,(H,21,22)
InChIKeyPXIMLRMKTKGPNQ-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.41
Rot. Bonds3

About (2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 20910914) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
PubChem CID20910914
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H17FN4O3/c20-14-5-2-1-4-13(14)18(25)23-7-9-24(10-8-23)19(26)16-12-15(21-22-16)17-6-3-11-27-17/h1-6,11-12H,7-10H2,(H,21,22)
InChIKeyPXIMLRMKTKGPNQ-UHFFFAOYSA-N
XLogP2.41
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 86985248
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 51896800
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 51896797
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759149
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide
CID 86992460
[5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 71801252
(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 30860537
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone (CID 20910914) is (2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is PXIMLRMKTKGPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-14-5-2-1-4-13(14)18(25)23-7-9-24(10-8-23)19(26)16-12-15(21-22-16)17-6-3-11-27-17/h1-6,11-12H,7-10H2,(H,21,22).
What are the key properties of (2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 368.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 20910914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).