N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

C20H19FN4O3 — CID 91628905

IUPACN-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3ccco3)CC2)[nH]n1
InChIInChI=1S/C20H19FN4O3/c21-14-4-1-2-5-15(14)22-19(26)17-12-16(23-24-17)13-7-9-25(10-8-13)20(27)18-6-3-11-28-18/h1-6,11-13H,7-10H2,(H,22,26)(H,23,24)
InChIKeyLAQNUUDGSKKYLL-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.41
Rot. Bonds4

About N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628905) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628905
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3ccco3)CC2)[nH]n1
InChIInChI=1S/C20H19FN4O3/c21-14-4-1-2-5-15(14)22-19(26)17-12-16(23-24-17)13-7-9-25(10-8-13)20(27)18-6-3-11-28-18/h1-6,11-13H,7-10H2,(H,22,26)(H,23,24)
InChIKeyLAQNUUDGSKKYLL-UHFFFAOYSA-N
XLogP3.41
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91628905) is N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3ccco3)CC2)[nH]n1.
What is the InChIKey of N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is LAQNUUDGSKKYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-14-4-1-2-5-15(14)22-19(26)17-12-16(23-24-17)13-7-9-25(10-8-13)20(27)18-6-3-11-28-18/h1-6,11-13H,7-10H2,(H,22,26)(H,23,24).
What are the key properties of N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).