2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol

C12H12N4O3 — CID 136822369

IUPAC2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol
SMILESO=[N+]([O-])c1cc(-c2n[nH]c3c2CNCC3)ccc1O
InChIInChI=1S/C12H12N4O3/c17-11-2-1-7(5-10(11)16(18)19)12-8-6-13-4-3-9(8)14-15-12/h1-2,5,13,17H,3-4,6H2,(H,14,15)
InChIKeyRRPOZRYUXYKFOO-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.34
Rot. Bonds2

About 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol

2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol (PubChem CID 136822369) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol.

Molecular Properties

Compound Name2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol
PubChem CID136822369
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol
SMILESO=[N+]([O-])c1cc(-c2n[nH]c3c2CNCC3)ccc1O
InChIInChI=1S/C12H12N4O3/c17-11-2-1-7(5-10(11)16(18)19)12-8-6-13-4-3-9(8)14-15-12/h1-2,5,13,17H,3-4,6H2,(H,14,15)
InChIKeyRRPOZRYUXYKFOO-UHFFFAOYSA-N
XLogP1.34
TPSA104.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol?
The IUPAC name of 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol (CID 136822369) is 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol.
What is the SMILES notation for 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol?
The canonical SMILES for 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol is O=[N+]([O-])c1cc(-c2n[nH]c3c2CNCC3)ccc1O.
What is the InChIKey of 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol?
The InChIKey is RRPOZRYUXYKFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-11-2-1-7(5-10(11)16(18)19)12-8-6-13-4-3-9(8)14-15-12/h1-2,5,13,17H,3-4,6H2,(H,14,15).
What are the key properties of 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol?
2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol has a molecular weight of 260.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol is sourced from PubChem (CID 136822369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).