1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine

C20H24FN5 — CID 70731049

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESCCn1cc(CN2CCCC(c3[nH]ncc3-c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C20H24FN5/c1-2-26-13-15(10-23-26)12-25-9-3-4-17(14-25)20-19(11-22-24-20)16-5-7-18(21)8-6-16/h5-8,10-11,13,17H,2-4,9,12,14H2,1H3,(H,22,24)
InChIKeyRWVKXMFKOJUDFC-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.81
Rot. Bonds5

About 1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine

1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 70731049) has the molecular formula C20H24FN5 and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID70731049
Molecular FormulaC20H24FN5
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESCCn1cc(CN2CCCC(c3[nH]ncc3-c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C20H24FN5/c1-2-26-13-15(10-23-26)12-25-9-3-4-17(14-25)20-19(11-22-24-20)16-5-7-18(21)8-6-16/h5-8,10-11,13,17H,2-4,9,12,14H2,1H3,(H,22,24)
InChIKeyRWVKXMFKOJUDFC-UHFFFAOYSA-N
XLogP3.81
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 70731049) is 1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine is CCn1cc(CN2CCCC(c3[nH]ncc3-c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is RWVKXMFKOJUDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c1-2-26-13-15(10-23-26)12-25-9-3-4-17(14-25)20-19(11-22-24-20)16-5-7-18(21)8-6-16/h5-8,10-11,13,17H,2-4,9,12,14H2,1H3,(H,22,24).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 353.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 70731049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).