5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide

C14H10N4O5 — CID 19514103

IUPAC5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C14H10N4O5/c19-12-6-8(18(21)22)3-4-9(12)15-14(20)11-7-10(16-17-11)13-2-1-5-23-13/h1-7,19H,(H,15,20)(H,16,17)
InChIKeyGEVHYPSMXJOBKM-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.54
Rot. Bonds4

About 5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 19514103) has the molecular formula C14H10N4O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide
PubChem CID19514103
Molecular FormulaC14H10N4O5
Molecular Weight314.26 g/mol
Exact Mass314.07
IUPAC Name5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C14H10N4O5/c19-12-6-8(18(21)22)3-4-9(12)15-14(20)11-7-10(16-17-11)13-2-1-5-23-13/h1-7,19H,(H,15,20)(H,16,17)
InChIKeyGEVHYPSMXJOBKM-UHFFFAOYSA-N
XLogP2.54
TPSA134.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(furan-2-yl)-N-[1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 4224828
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513942
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 169174710
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513943
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87045713
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide
CID 107745266
4-chloro-N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19476028

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide (CID 19514103) is 5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is GEVHYPSMXJOBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O5/c19-12-6-8(18(21)22)3-4-9(12)15-14(20)11-7-10(16-17-11)13-2-1-5-23-13/h1-7,19H,(H,15,20)(H,16,17).
What are the key properties of 5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 314.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19514103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).