N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide

C18H16N4O2 — CID 53195866

IUPACN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide
SMILESCCn1c(-c2cc(NC(=O)c3ccoc3)n[nH]2)cc2ccccc21
InChIInChI=1S/C18H16N4O2/c1-2-22-15-6-4-3-5-12(15)9-16(22)14-10-17(21-20-14)19-18(23)13-7-8-24-11-13/h3-11H,2H2,1H3,(H2,19,20,21,23)
InChIKeyDIYLOAMETHAKJU-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.90
Rot. Bonds4

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

N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide (PubChem CID 53195866) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide
PubChem CID53195866
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide
SMILESCCn1c(-c2cc(NC(=O)c3ccoc3)n[nH]2)cc2ccccc21
InChIInChI=1S/C18H16N4O2/c1-2-22-15-6-4-3-5-12(15)9-16(22)14-10-17(21-20-14)19-18(23)13-7-8-24-11-13/h3-11H,2H2,1H3,(H2,19,20,21,23)
InChIKeyDIYLOAMETHAKJU-UHFFFAOYSA-N
XLogP3.90
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide (CID 53195866) is N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide is CCn1c(-c2cc(NC(=O)c3ccoc3)n[nH]2)cc2ccccc21.
What is the InChIKey of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide?
The InChIKey is DIYLOAMETHAKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-22-15-6-4-3-5-12(15)9-16(22)14-10-17(21-20-14)19-18(23)13-7-8-24-11-13/h3-11H,2H2,1H3,(H2,19,20,21,23).
What are the key properties of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide?
N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 53195866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).