1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine

C8H8F2N6O2 — CID 75381208

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine
SMILESNc1c([N+](=O)[O-])cnn1Cc1nccn1C(F)F
InChIInChI=1S/C8H8F2N6O2/c9-8(10)14-2-1-12-6(14)4-15-7(11)5(3-13-15)16(17)18/h1-3,8H,4,11H2
InChIKeyJRKRVVKQLVUKAI-UHFFFAOYSA-N
MW258.19 g/mol
LogP1.01
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine (PubChem CID 75381208) has the molecular formula C8H8F2N6O2 and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine
PubChem CID75381208
Molecular FormulaC8H8F2N6O2
Molecular Weight258.19 g/mol
Exact Mass258.07
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine
SMILESNc1c([N+](=O)[O-])cnn1Cc1nccn1C(F)F
InChIInChI=1S/C8H8F2N6O2/c9-8(10)14-2-1-12-6(14)4-15-7(11)5(3-13-15)16(17)18/h1-3,8H,4,11H2
InChIKeyJRKRVVKQLVUKAI-UHFFFAOYSA-N
XLogP1.01
TPSA104.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1H-Pyrazole, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-
CID 14495357
5-(3-Fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine
CID 154969225
3-[1-(3-Fluoro-4-nitropyrazol-1-yl)cyclopropyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 169782976
5-[(4-Nitropyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)imidazole
CID 169783662
3-[1-(4-Nitropyrazol-1-yl)cyclopropyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 169795156
3-[(1R)-1-(4-nitropyrazol-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 176393119
5-[1-(4-Nitropyrazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)tetrazole
CID 176393162
3-[(1S)-3,3-difluoro-1-(3-fluoro-4-nitropyrazol-1-yl)propyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 176393205
3-[(1S)-1-(3-fluoro-4-nitropyrazol-1-yl)propyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 176393228
3-[(1R)-1-(3-fluoro-4-nitropyrazol-1-yl)propyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 176393281
4-(cyclopropylmethyl)-3-[(1S)-3,3-difluoro-1-(3-fluoro-4-nitropyrazol-1-yl)propyl]-1,2,4-triazole
CID 176393302
3-[(1S)-1-(4-nitropyrazol-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 176393375

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine (CID 75381208) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine is Nc1c([N+](=O)[O-])cnn1Cc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine?
The InChIKey is JRKRVVKQLVUKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N6O2/c9-8(10)14-2-1-12-6(14)4-15-7(11)5(3-13-15)16(17)18/h1-3,8H,4,11H2.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine has a molecular weight of 258.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 75381208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).