[4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol

C11H15F2N3O3 — CID 146599116

IUPAC[4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol
SMILESO=[N+]([O-])c1cnn(C2CCC(CO)CC2)c1C(F)F
InChIInChI=1S/C11H15F2N3O3/c12-11(13)10-9(16(18)19)5-14-15(10)8-3-1-7(6-17)2-4-8/h5,7-8,11,17H,1-4,6H2
InChIKeyKJDVXSKLCXULBE-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.45
Rot. Bonds4

About [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol

[4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol (PubChem CID 146599116) has the molecular formula C11H15F2N3O3 and a molecular weight of 275.25 g/mol. Its IUPAC name is [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol
PubChem CID146599116
Molecular FormulaC11H15F2N3O3
Molecular Weight275.25 g/mol
Exact Mass275.11
IUPAC Name[4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol
SMILESO=[N+]([O-])c1cnn(C2CCC(CO)CC2)c1C(F)F
InChIInChI=1S/C11H15F2N3O3/c12-11(13)10-9(16(18)19)5-14-15(10)8-3-1-7(6-17)2-4-8/h5,7-8,11,17H,1-4,6H2
InChIKeyKJDVXSKLCXULBE-UHFFFAOYSA-N
XLogP2.45
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
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 [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol 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 [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol?
The IUPAC name of [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol (CID 146599116) is [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol is O=[N+]([O-])c1cnn(C2CCC(CO)CC2)c1C(F)F.
What is the InChIKey of [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol?
The InChIKey is KJDVXSKLCXULBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O3/c12-11(13)10-9(16(18)19)5-14-15(10)8-3-1-7(6-17)2-4-8/h5,7-8,11,17H,1-4,6H2.
What are the key properties of [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol?
[4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol has a molecular weight of 275.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 146599116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).