[4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol

C11H11N3O4 — CID 114274095

IUPAC[4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol
SMILESCOc1cnn(-c2ccc(CO)cc2[N+](=O)[O-])c1
InChIInChI=1S/C11H11N3O4/c1-18-9-5-12-13(6-9)10-3-2-8(7-15)4-11(10)14(16)17/h2-6,15H,7H2,1H3
InChIKeyVQDYYZINNMOLKG-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.28
Rot. Bonds4

About [4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol

[4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol (PubChem CID 114274095) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is [4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol
PubChem CID114274095
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name[4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol
SMILESCOc1cnn(-c2ccc(CO)cc2[N+](=O)[O-])c1
InChIInChI=1S/C11H11N3O4/c1-18-9-5-12-13(6-9)10-3-2-8(7-15)4-11(10)14(16)17/h2-6,15H,7H2,1H3
InChIKeyVQDYYZINNMOLKG-UHFFFAOYSA-N
XLogP1.28
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.28
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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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol?
The IUPAC name of [4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol (CID 114274095) is [4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol.
What is the SMILES notation for [4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol?
The canonical SMILES for [4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol is COc1cnn(-c2ccc(CO)cc2[N+](=O)[O-])c1.
What is the InChIKey of [4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol?
The InChIKey is VQDYYZINNMOLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-18-9-5-12-13(6-9)10-3-2-8(7-15)4-11(10)14(16)17/h2-6,15H,7H2,1H3.
What are the key properties of [4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol?
[4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol has a molecular weight of 249.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol is sourced from PubChem (CID 114274095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).