1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine

C11H15F3N4O2 — CID 47213595

IUPAC1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine
SMILESCc1nn(C)c(N2CCCC(C(F)(F)F)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H15F3N4O2/c1-7-9(18(19)20)10(16(2)15-7)17-5-3-4-8(6-17)11(12,13)14/h8H,3-6H2,1-2H3
InChIKeyYJMYWOMDPNODAN-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.42
Rot. Bonds2

About 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine

1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine (PubChem CID 47213595) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine
PubChem CID47213595
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine
SMILESCc1nn(C)c(N2CCCC(C(F)(F)F)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H15F3N4O2/c1-7-9(18(19)20)10(16(2)15-7)17-5-3-4-8(6-17)11(12,13)14/h8H,3-6H2,1-2H3
InChIKeyYJMYWOMDPNODAN-UHFFFAOYSA-N
XLogP2.42
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
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'}

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Related Compounds

1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
CID 10469680
1,3-dimethyl-4-nitro-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 43554241
1,3-dimethyl-4-nitro-N-(3,3,3-trifluoropropyl)pyrazol-5-amine
CID 63227087
3-Methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754686
3-Methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758831
1,3-Dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
CID 65534224
1,3-Dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
CID 65534799
1-ethyl-3-methyl-4-nitro-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 66011799
1-ethyl-3-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyrazol-5-amine
CID 66012022
1-Ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
CID 66012483
1-Ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
CID 66012484
3-methyl-4-nitro-1-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 66013302

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine (CID 47213595) is 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine is Cc1nn(C)c(N2CCCC(C(F)(F)F)C2)c1[N+](=O)[O-].
What is the InChIKey of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine?
The InChIKey is YJMYWOMDPNODAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-7-9(18(19)20)10(16(2)15-7)17-5-3-4-8(6-17)11(12,13)14/h8H,3-6H2,1-2H3.
What are the key properties of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine?
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine has a molecular weight of 292.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 47213595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).