1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

C19H23FN4 — CID 166300747

IUPAC1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1cccc(-c2[nH]ncc2CN2CCN(C34CC(C3)C4)CC2)c1
InChIInChI=1S/C19H23FN4/c20-17-3-1-2-15(8-17)18-16(12-21-22-18)13-23-4-6-24(7-5-23)19-9-14(10-19)11-19/h1-3,8,12,14H,4-7,9-11,13H2,(H,21,22)
InChIKeyATAWYPKFTFJTRG-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.89
Rot. Bonds4

About 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 166300747) has the molecular formula C19H23FN4 and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID166300747
Molecular FormulaC19H23FN4
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1cccc(-c2[nH]ncc2CN2CCN(C34CC(C3)C4)CC2)c1
InChIInChI=1S/C19H23FN4/c20-17-3-1-2-15(8-17)18-16(12-21-22-18)13-23-4-6-24(7-5-23)19-9-14(10-19)11-19/h1-3,8,12,14H,4-7,9-11,13H2,(H,21,22)
InChIKeyATAWYPKFTFJTRG-UHFFFAOYSA-N
XLogP2.89
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine with MolForge

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Related Compounds

1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 166396791
2-[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 135113599
2-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-2-methoxyacetic acid
CID 166289525
(3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 72910665
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42431676
[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 138809243
(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163314770
2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28735204
2-[(2S)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 28958065
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45198658
(3aR,6S,7aS)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indole
CID 118776075

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 166300747) is 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is Fc1cccc(-c2[nH]ncc2CN2CCN(C34CC(C3)C4)CC2)c1.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is ATAWYPKFTFJTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4/c20-17-3-1-2-15(8-17)18-16(12-21-22-18)13-23-4-6-24(7-5-23)19-9-14(10-19)11-19/h1-3,8,12,14H,4-7,9-11,13H2,(H,21,22).
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 326.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 166300747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).