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

C11H13N3O3 — CID 78854308

IUPAC5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCO)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C11H13N3O3/c15-5-2-4-12-11(16)9-7-8(13-14-9)10-3-1-6-17-10/h1,3,6-7,15H,2,4-5H2,(H,12,16)(H,13,14)
InChIKeyVOVVDJOTGJKFDP-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.78
Rot. Bonds5

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

5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide (PubChem CID 78854308) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
PubChem CID78854308
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCO)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C11H13N3O3/c15-5-2-4-12-11(16)9-7-8(13-14-9)10-3-1-6-17-10/h1,3,6-7,15H,2,4-5H2,(H,12,16)(H,13,14)
InChIKeyVOVVDJOTGJKFDP-UHFFFAOYSA-N
XLogP0.78
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
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
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
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide
CID 94020822
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
5-(furan-2-yl)-N'-(1H-pyrrole-2-carbonyl)-1H-pyrazole-3-carbohydrazide
CID 78848489
5-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121119296

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide (CID 78854308) is 5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide is O=C(NCCCO)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is VOVVDJOTGJKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-5-2-4-12-11(16)9-7-8(13-14-9)10-3-1-6-17-10/h1,3,6-7,15H,2,4-5H2,(H,12,16)(H,13,14).
What are the key properties of 5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78854308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).