5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide

C15H20N4O3 — CID 19513871

IUPAC5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H20N4O3/c20-15(16-4-2-5-19-6-9-21-10-7-19)13-11-12(17-18-13)14-3-1-8-22-14/h1,3,8,11H,2,4-7,9-10H2,(H,16,20)(H,17,18)
InChIKeyWKYQVKORCRYVAS-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.12
Rot. Bonds6

About 5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 19513871) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID19513871
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H20N4O3/c20-15(16-4-2-5-19-6-9-21-10-7-19)13-11-12(17-18-13)14-3-1-8-22-14/h1,3,8,11H,2,4-7,9-10H2,(H,16,20)(H,17,18)
InChIKeyWKYQVKORCRYVAS-UHFFFAOYSA-N
XLogP1.12
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide (CID 19513871) is 5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WKYQVKORCRYVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-15(16-4-2-5-19-6-9-21-10-7-19)13-11-12(17-18-13)14-3-1-8-22-14/h1,3,8,11H,2,4-7,9-10H2,(H,16,20)(H,17,18).
What are the key properties of 5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19513871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).