5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole

C6H7F2N3O2 — CID 146470215

IUPAC5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole
SMILESCCC(F)(F)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C6H7F2N3O2/c1-2-6(7,8)5-4(11(12)13)3-9-10-5/h3H,2H2,1H3,(H,9,10)
InChIKeyKOCINEGVKXIIPA-UHFFFAOYSA-N
MW191.14 g/mol
LogP1.82
Rot. Bonds3

About 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole

5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole (PubChem CID 146470215) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole
PubChem CID146470215
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole
SMILESCCC(F)(F)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C6H7F2N3O2/c1-2-6(7,8)5-4(11(12)13)3-9-10-5/h3H,2H2,1H3,(H,9,10)
InChIKeyKOCINEGVKXIIPA-UHFFFAOYSA-N
XLogP1.82
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

1H-Pyrazole, 3-methyl-4-nitro-
CID 79255
3-(tert-butyl)-4-nitro-1H-pyrazole
CID 1473128
3-ethyl-4-nitro-1H-pyrazole
CID 12565207
4-nitro-5-(trifluoromethyl)-1H-pyrazole
CID 7147390
5-cyclopropyl-4-nitro-1H-pyrazole
CID 56777242
3(5)-Isopropyl-4-nitro-1H-pyrazole
CID 61394753
3-cyclobutyl-4-nitro-1H-pyrazole
CID 69281522
5-(1,1-difluoroethyl)-4-nitro-1H-pyrazole
CID 155858274
5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 67322954
4-nitro-5-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 67325173
5-(2,2-difluoroethyl)-4-nitro-1H-pyrazole
CID 67450863
5-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 67451195

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole?
The IUPAC name of 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole (CID 146470215) is 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole.
What is the SMILES notation for 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole?
The canonical SMILES for 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole is CCC(F)(F)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole?
The InChIKey is KOCINEGVKXIIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c1-2-6(7,8)5-4(11(12)13)3-9-10-5/h3H,2H2,1H3,(H,9,10).
What are the key properties of 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole?
5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole has a molecular weight of 191.14 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-4-nitro-1H-pyrazole is sourced from PubChem (CID 146470215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).