2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine

C12H18F3N3 — CID 73439874

IUPAC2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
SMILESCc1cn[nH]c1C1CCCCN1CCC(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-9-8-16-17-11(9)10-4-2-3-6-18(10)7-5-12(13,14)15/h8,10H,2-7H2,1H3,(H,16,17)
InChIKeyFWMVHDYBHYRDJX-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.20
Rot. Bonds3

About 2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine

2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 73439874) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID73439874
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
SMILESCc1cn[nH]c1C1CCCCN1CCC(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-9-8-16-17-11(9)10-4-2-3-6-18(10)7-5-12(13,14)15/h8,10H,2-7H2,1H3,(H,16,17)
InChIKeyFWMVHDYBHYRDJX-UHFFFAOYSA-N
XLogP3.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine (CID 73439874) is 2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine is Cc1cn[nH]c1C1CCCCN1CCC(F)(F)F.
What is the InChIKey of 2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is FWMVHDYBHYRDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-9-8-16-17-11(9)10-4-2-3-6-18(10)7-5-12(13,14)15/h8,10H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine?
2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 261.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 73439874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).