3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine

C19H20FN3S — CID 45237286

IUPAC3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine
SMILESFc1ccc(-c2cn[nH]c2C2CCCN(Cc3cccs3)C2)cc1
InChIInChI=1S/C19H20FN3S/c20-16-7-5-14(6-8-16)18-11-21-22-19(18)15-3-1-9-23(12-15)13-17-4-2-10-24-17/h2,4-8,10-11,15H,1,3,9,12-13H2,(H,21,22)
InChIKeyIBLUXRRYMPKSIU-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.66
Rot. Bonds4

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

3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine (PubChem CID 45237286) has the molecular formula C19H20FN3S and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine
PubChem CID45237286
Molecular FormulaC19H20FN3S
Molecular Weight341.45 g/mol
Exact Mass341.14
IUPAC Name3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine
SMILESFc1ccc(-c2cn[nH]c2C2CCCN(Cc3cccs3)C2)cc1
InChIInChI=1S/C19H20FN3S/c20-16-7-5-14(6-8-16)18-11-21-22-19(18)15-3-1-9-23(12-15)13-17-4-2-10-24-17/h2,4-8,10-11,15H,1,3,9,12-13H2,(H,21,22)
InChIKeyIBLUXRRYMPKSIU-UHFFFAOYSA-N
XLogP4.66
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706
1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45216943
4-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95220798
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401758
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479392
(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 29087992
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 45248311
3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 45171512
N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95805304
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45234631
N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 45172705

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine?
The IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine (CID 45237286) is 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine?
The canonical SMILES for 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine is Fc1ccc(-c2cn[nH]c2C2CCCN(Cc3cccs3)C2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine?
The InChIKey is IBLUXRRYMPKSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3S/c20-16-7-5-14(6-8-16)18-11-21-22-19(18)15-3-1-9-23(12-15)13-17-4-2-10-24-17/h2,4-8,10-11,15H,1,3,9,12-13H2,(H,21,22).
What are the key properties of 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine?
3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine has a molecular weight of 341.45 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 45237286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).