2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide

C17H18N4O2 — CID 71807903

IUPAC2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ccc(-c3ccccn3)n2)c(C)o1
InChIInChI=1S/C17H18N4O2/c1-12-11-14(13(2)23-12)17(22)19-8-10-21-9-6-16(20-21)15-5-3-4-7-18-15/h3-7,9,11H,8,10H2,1-2H3,(H,19,22)
InChIKeyDPYCUOODRDIYNR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.58
Rot. Bonds5

About 2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide (PubChem CID 71807903) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
PubChem CID71807903
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ccc(-c3ccccn3)n2)c(C)o1
InChIInChI=1S/C17H18N4O2/c1-12-11-14(13(2)23-12)17(22)19-8-10-21-9-6-16(20-21)15-5-3-4-7-18-15/h3-7,9,11H,8,10H2,1-2H3,(H,19,22)
InChIKeyDPYCUOODRDIYNR-UHFFFAOYSA-N
XLogP2.58
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide (CID 71807903) is 2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCCn2ccc(-c3ccccn3)n2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The InChIKey is DPYCUOODRDIYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-11-14(13(2)23-12)17(22)19-8-10-21-9-6-16(20-21)15-5-3-4-7-18-15/h3-7,9,11H,8,10H2,1-2H3,(H,19,22).
What are the key properties of 2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 71807903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).