5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole

C10H10F3N5O2 — CID 19576765

IUPAC5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole
SMILESCc1cc([N+](=O)[O-])nn1Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C10H10F3N5O2/c1-6-3-8(10(11,12)13)14-16(6)5-17-7(2)4-9(15-17)18(19)20/h3-4H,5H2,1-2H3
InChIKeyREPOTRCLFDQHMI-UHFFFAOYSA-N
MW289.22 g/mol
LogP2.13
Rot. Bonds3

About 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole

5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 19576765) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole
PubChem CID19576765
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC Name5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole
SMILESCc1cc([N+](=O)[O-])nn1Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C10H10F3N5O2/c1-6-3-8(10(11,12)13)14-16(6)5-17-7(2)4-9(15-17)18(19)20/h3-4H,5H2,1-2H3
InChIKeyREPOTRCLFDQHMI-UHFFFAOYSA-N
XLogP2.13
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
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 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole (CID 19576765) is 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole is Cc1cc([N+](=O)[O-])nn1Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is REPOTRCLFDQHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-6-3-8(10(11,12)13)14-16(6)5-17-7(2)4-9(15-17)18(19)20/h3-4H,5H2,1-2H3.
What are the key properties of 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole?
5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 289.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 19576765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).