4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine

C11H17F2N3 — CID 165486854

IUPAC4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine
SMILESCCn1cc(C(F)F)c(C2CCNCC2)n1
InChIInChI=1S/C11H17F2N3/c1-2-16-7-9(11(12)13)10(15-16)8-3-5-14-6-4-8/h7-8,11,14H,2-6H2,1H3
InChIKeyLAMMNIWLBOZUFU-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.31
Rot. Bonds3

About 4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine

4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine (PubChem CID 165486854) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine
PubChem CID165486854
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine
SMILESCCn1cc(C(F)F)c(C2CCNCC2)n1
InChIInChI=1S/C11H17F2N3/c1-2-16-7-9(11(12)13)10(15-16)8-3-5-14-6-4-8/h7-8,11,14H,2-6H2,1H3
InChIKeyLAMMNIWLBOZUFU-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine?
The IUPAC name of 4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine (CID 165486854) is 4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine?
The canonical SMILES for 4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine is CCn1cc(C(F)F)c(C2CCNCC2)n1.
What is the InChIKey of 4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine?
The InChIKey is LAMMNIWLBOZUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-2-16-7-9(11(12)13)10(15-16)8-3-5-14-6-4-8/h7-8,11,14H,2-6H2,1H3.
What are the key properties of 4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine?
4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine has a molecular weight of 229.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]piperidine is sourced from PubChem (CID 165486854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).