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

C20H22FN3S — CID 26360981

IUPAC(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccsc1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1
InChIInChI=1S/C20H22FN3S/c1-14-7-9-25-19(14)13-24-8-3-5-16(12-24)20-18(11-22-23-20)15-4-2-6-17(21)10-15/h2,4,6-7,9-11,16H,3,5,8,12-13H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyLGXHZTYIDBAMDV-MRXNPFEDSA-N
MW355.48 g/mol
LogP4.97
Rot. Bonds4

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

(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine (PubChem CID 26360981) has the molecular formula C20H22FN3S and a molecular weight of 355.48 g/mol. Its IUPAC name is (3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine
PubChem CID26360981
Molecular FormulaC20H22FN3S
Molecular Weight355.48 g/mol
Exact Mass355.15
IUPAC Name(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccsc1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1
InChIInChI=1S/C20H22FN3S/c1-14-7-9-25-19(14)13-24-8-3-5-16(12-24)20-18(11-22-23-20)15-4-2-6-17(21)10-15/h2,4,6-7,9-11,16H,3,5,8,12-13H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyLGXHZTYIDBAMDV-MRXNPFEDSA-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 (3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of (3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine (CID 26360981) is (3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for (3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for (3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine is Cc1ccsc1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1.
What is the InChIKey of (3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is LGXHZTYIDBAMDV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FN3S/c1-14-7-9-25-19(14)13-24-8-3-5-16(12-24)20-18(11-22-23-20)15-4-2-6-17(21)10-15/h2,4,6-7,9-11,16H,3,5,8,12-13H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
(3R)-3-[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 (3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 26360981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).