[3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone

C20H19FN6O2 — CID 110219679

IUPAC[3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(n4nnc5cc(F)ccc54)C3)n[nH]2)o1
InChIInChI=1S/C20H19FN6O2/c1-12-4-7-19(29-12)16-10-17(23-22-16)20(28)26-8-2-3-14(11-26)27-18-6-5-13(21)9-15(18)24-25-27/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,22,23)
InChIKeyQMDPFXAATKYTIQ-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.34
Rot. Bonds3

About [3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone

[3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 110219679) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is [3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID110219679
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name[3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(n4nnc5cc(F)ccc54)C3)n[nH]2)o1
InChIInChI=1S/C20H19FN6O2/c1-12-4-7-19(29-12)16-10-17(23-22-16)20(28)26-8-2-3-14(11-26)27-18-6-5-13(21)9-15(18)24-25-27/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,22,23)
InChIKeyQMDPFXAATKYTIQ-UHFFFAOYSA-N
XLogP3.34
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-pyrazole-3-carboxamide
CID 11504199
N-Cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272562
1-(4-fluorophenyl)-4-{[3-(2-furyl)-1H-pyrazol-5-yl]carbonyl}piperazine
CID 20906461
N-Cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272481
N-Cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272484
N-Cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272485
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53566927
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone
CID 95808337
N-Cyclohexyl-2-(furan-2-YL)-5-[(furan-2-YL)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272486
N-Cycloheptyl-2-(furan-2-YL)-5-[(furan-2-YL)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272563
1-[3-(Furan-2-YL)-1H-pyrazole-5-carbonyl]-4-phenylpiperazine
CID 20906454
1-(2-Fluorophenyl)-4-[3-(furan-2-YL)-1H-pyrazole-5-carbonyl]piperazine
CID 20906463

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone (CID 110219679) is [3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCC(n4nnc5cc(F)ccc54)C3)n[nH]2)o1.
What is the InChIKey of [3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is QMDPFXAATKYTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-12-4-7-19(29-12)16-10-17(23-22-16)20(28)26-8-2-3-14(11-26)27-18-6-5-13(21)9-15(18)24-25-27/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,22,23).
What are the key properties of [3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone?
[3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 394.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 110219679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).