5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

C18H18N4O3 — CID 91628806

IUPAC5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1
InChIInChI=1S/C18H18N4O3/c19-17(23)13-10-12(20-21-13)14-6-3-4-8-22(14)18(24)16-9-11-5-1-2-7-15(11)25-16/h1-2,5,7,9-10,14H,3-4,6,8H2,(H2,19,23)(H,20,21)
InChIKeyPWAZAPZQHPBCMJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.62
Rot. Bonds3

About 5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628806) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628806
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1
InChIInChI=1S/C18H18N4O3/c19-17(23)13-10-12(20-21-13)14-6-3-4-8-22(14)18(24)16-9-11-5-1-2-7-15(11)25-16/h1-2,5,7,9-10,14H,3-4,6,8H2,(H2,19,23)(H,20,21)
InChIKeyPWAZAPZQHPBCMJ-UHFFFAOYSA-N
XLogP2.62
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (CID 91628806) is 5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc(C2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1.
What is the InChIKey of 5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is PWAZAPZQHPBCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c19-17(23)13-10-12(20-21-13)14-6-3-4-8-22(14)18(24)16-9-11-5-1-2-7-15(11)25-16/h1-2,5,7,9-10,14H,3-4,6,8H2,(H2,19,23)(H,20,21).
What are the key properties of 5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzofuran-2-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).