4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine

C17H23FN4O2 — CID 89200611

IUPAC4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine
SMILESCOOCN1CCC(c2nn(C)c(N)c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4O2/c1-21-17(19)15(12-3-5-14(18)6-4-12)16(20-21)13-7-9-22(10-8-13)11-24-23-2/h3-6,13H,7-11,19H2,1-2H3
InChIKeyDQQPJMQUWGRWGE-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.52
Rot. Bonds5

About 4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine

4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine (PubChem CID 89200611) has the molecular formula C17H23FN4O2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine
PubChem CID89200611
Molecular FormulaC17H23FN4O2
Molecular Weight334.39 g/mol
Exact Mass334.18
IUPAC Name4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine
SMILESCOOCN1CCC(c2nn(C)c(N)c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4O2/c1-21-17(19)15(12-3-5-14(18)6-4-12)16(20-21)13-7-9-22(10-8-13)11-24-23-2/h3-6,13H,7-11,19H2,1-2H3
InChIKeyDQQPJMQUWGRWGE-UHFFFAOYSA-N
XLogP2.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine (CID 89200611) is 4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine is COOCN1CCC(c2nn(C)c(N)c2-c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine?
The InChIKey is DQQPJMQUWGRWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-21-17(19)15(12-3-5-14(18)6-4-12)16(20-21)13-7-9-22(10-8-13)11-24-23-2/h3-6,13H,7-11,19H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine?
4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine has a molecular weight of 334.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-3-[1-(methylperoxymethyl)piperidin-4-yl]pyrazol-5-amine is sourced from PubChem (CID 89200611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).