[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol

C9H9N3O4 — CID 66928541

IUPAC[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
SMILESO=[N+]([O-])c1ccn(Cc2ccc(CO)o2)n1
InChIInChI=1S/C9H9N3O4/c13-6-8-2-1-7(16-8)5-11-4-3-9(10-11)12(14)15/h1-4,13H,5-6H2
InChIKeyNKALUKLZXIWLTI-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.92
Rot. Bonds4

About [5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol

[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol (PubChem CID 66928541) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is [5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
PubChem CID66928541
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
SMILESO=[N+]([O-])c1ccn(Cc2ccc(CO)o2)n1
InChIInChI=1S/C9H9N3O4/c13-6-8-2-1-7(16-8)5-11-4-3-9(10-11)12(14)15/h1-4,13H,5-6H2
InChIKeyNKALUKLZXIWLTI-UHFFFAOYSA-N
XLogP0.92
TPSA94.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-fluorophenyl)-3-[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]prop-2-en-1-one
CID 19551271
[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
CID 66928816
(E)-1-(3,4-dichlorophenyl)-3-[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]prop-2-en-1-one
CID 19570867
(E)-3-[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
CID 19555026
4-[(3-nitropyrazol-1-yl)methyl]benzoic acid
CID 819614
4-nitro-2-[(3-nitropyrazol-1-yl)methyl]aniline
CID 62195239
1-(bromomethyl)-3-nitropyrazole
CID 58266069
3-[(3-nitropyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 61176058
1-[(4-ethylphenyl)methyl]-3-nitropyrazole
CID 118560160
4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide
CID 843247
3-[(3-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639196
3-[(3-nitropyrazol-1-yl)methyl]benzoic acid
CID 819609

Frequently Asked Questions

What is the IUPAC name of [5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol (CID 66928541) is [5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol is O=[N+]([O-])c1ccn(Cc2ccc(CO)o2)n1.
What is the InChIKey of [5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol?
The InChIKey is NKALUKLZXIWLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c13-6-8-2-1-7(16-8)5-11-4-3-9(10-11)12(14)15/h1-4,13H,5-6H2.
What are the key properties of [5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol?
[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol has a molecular weight of 223.19 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 66928541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).