5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide

C11H9N3O2 — CID 25353049

IUPAC5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
SMILESC#CCNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C11H9N3O2/c1-2-5-12-11(15)9-7-8(13-14-9)10-4-3-6-16-10/h1,3-4,6-7H,5H2,(H,12,15)(H,13,14)
InChIKeyKIMAJEOKZGAWMD-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.03
Rot. Bonds3

About 5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide (PubChem CID 25353049) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
PubChem CID25353049
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
SMILESC#CCNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C11H9N3O2/c1-2-5-12-11(15)9-7-8(13-14-9)10-4-3-6-16-10/h1,3-4,6-7H,5H2,(H,12,15)(H,13,14)
InChIKeyKIMAJEOKZGAWMD-UHFFFAOYSA-N
XLogP1.03
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
5-(furan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 39854407
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970
5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 86984728
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87036753
5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
CID 109380983

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide (CID 25353049) is 5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide is C#CCNC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide?
The InChIKey is KIMAJEOKZGAWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-2-5-12-11(15)9-7-8(13-14-9)10-4-3-6-16-10/h1,3-4,6-7H,5H2,(H,12,15)(H,13,14).
What are the key properties of 5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide has a molecular weight of 215.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25353049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).