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

C13H17N3O2 — CID 25348232

IUPAC5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H17N3O2/c1-2-3-4-7-14-13(17)11-9-10(15-16-11)12-6-5-8-18-12/h5-6,8-9H,2-4,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyKZISZKAYUYMHFG-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.59
Rot. Bonds6

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

5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide (PubChem CID 25348232) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
PubChem CID25348232
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H17N3O2/c1-2-3-4-7-14-13(17)11-9-10(15-16-11)12-6-5-8-18-12/h5-6,8-9H,2-4,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyKZISZKAYUYMHFG-UHFFFAOYSA-N
XLogP2.59
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide
CID 110331915
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119393280
N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87036753
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
5-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121119296
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

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide (CID 25348232) is 5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide is CCCCCNC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide?
The InChIKey is KZISZKAYUYMHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-3-4-7-14-13(17)11-9-10(15-16-11)12-6-5-8-18-12/h5-6,8-9H,2-4,7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.59, 6 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-pentyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25348232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).