4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine

C20H22FN3S — CID 26341259

IUPAC4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccsc1CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C20H22FN3S/c1-14-7-10-25-19(14)13-24-8-5-15(6-9-24)20-18(12-22-23-20)16-3-2-4-17(21)11-16/h2-4,7,10-12,15H,5-6,8-9,13H2,1H3,(H,22,23)
InChIKeyKTEKYDLWGKZFSU-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.97
Rot. Bonds4

About 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine

4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine (PubChem CID 26341259) has the molecular formula C20H22FN3S and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine
PubChem CID26341259
Molecular FormulaC20H22FN3S
Molecular Weight355.48 g/mol
Exact Mass355.15
IUPAC Name4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccsc1CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C20H22FN3S/c1-14-7-10-25-19(14)13-24-8-5-15(6-9-24)20-18(12-22-23-20)16-3-2-4-17(21)11-16/h2-4,7,10-12,15H,5-6,8-9,13H2,1H3,(H,22,23)
InChIKeyKTEKYDLWGKZFSU-UHFFFAOYSA-N
XLogP4.97
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine (CID 26341259) is 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine is Cc1ccsc1CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is KTEKYDLWGKZFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3S/c1-14-7-10-25-19(14)13-24-8-5-15(6-9-24)20-18(12-22-23-20)16-3-2-4-17(21)11-16/h2-4,7,10-12,15H,5-6,8-9,13H2,1H3,(H,22,23).
What are the key properties of 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 355.48 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 26341259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).