N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide

C17H24N4O2 — CID 50956560

IUPACN-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(C(C)N3CCCCC3)o2)n[nH]1
InChIInChI=1S/C17H24N4O2/c1-12-10-14(20-19-12)11-18-17(22)16-7-6-15(23-16)13(2)21-8-4-3-5-9-21/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyKLIUIGLCULWGSG-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.79
Rot. Bonds5

About N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide

N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide (PubChem CID 50956560) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
PubChem CID50956560
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(C(C)N3CCCCC3)o2)n[nH]1
InChIInChI=1S/C17H24N4O2/c1-12-10-14(20-19-12)11-18-17(22)16-7-6-15(23-16)13(2)21-8-4-3-5-9-21/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyKLIUIGLCULWGSG-UHFFFAOYSA-N
XLogP2.79
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide (CID 50956560) is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide is Cc1cc(CNC(=O)c2ccc(C(C)N3CCCCC3)o2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is KLIUIGLCULWGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-10-14(20-19-12)11-18-17(22)16-7-6-15(23-16)13(2)21-8-4-3-5-9-21/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 50956560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).