N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide

C18H23N5O2 — CID 86799904

IUPACN-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2nn(C(C)C)cc2C#N)C(c2ccco2)C1
InChIInChI=1S/C18H23N5O2/c1-12(2)23-11-14(10-19)17(21-23)20-18(24)22-7-6-13(3)9-15(22)16-5-4-8-25-16/h4-5,8,11-13,15H,6-7,9H2,1-3H3,(H,20,21,24)
InChIKeyADFUFWTZEJUADG-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.93
Rot. Bonds3

About N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide

N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 86799904) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
PubChem CID86799904
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2nn(C(C)C)cc2C#N)C(c2ccco2)C1
InChIInChI=1S/C18H23N5O2/c1-12(2)23-11-14(10-19)17(21-23)20-18(24)22-7-6-13(3)9-15(22)16-5-4-8-25-16/h4-5,8,11-13,15H,6-7,9H2,1-3H3,(H,20,21,24)
InChIKeyADFUFWTZEJUADG-UHFFFAOYSA-N
XLogP3.93
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide (CID 86799904) is N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2nn(C(C)C)cc2C#N)C(c2ccco2)C1.
What is the InChIKey of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is ADFUFWTZEJUADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(2)23-11-14(10-19)17(21-23)20-18(24)22-7-6-13(3)9-15(22)16-5-4-8-25-16/h4-5,8,11-13,15H,6-7,9H2,1-3H3,(H,20,21,24).
What are the key properties of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 86799904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).