1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine

C19H21FN4S — CID 139743917

IUPAC1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCn1nc(CN2CCN(c3ccc(F)cc3)CC2)cc1-c1cccs1
InChIInChI=1S/C19H21FN4S/c1-22-18(19-3-2-12-25-19)13-16(21-22)14-23-8-10-24(11-9-23)17-6-4-15(20)5-7-17/h2-7,12-13H,8-11,14H2,1H3
InChIKeyXCBNBORQXALFCB-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine

1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine (PubChem CID 139743917) has the molecular formula C19H21FN4S and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine
PubChem CID139743917
Molecular FormulaC19H21FN4S
Molecular Weight356.47 g/mol
Exact Mass356.15
IUPAC Name1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCn1nc(CN2CCN(c3ccc(F)cc3)CC2)cc1-c1cccs1
InChIInChI=1S/C19H21FN4S/c1-22-18(19-3-2-12-25-19)13-16(21-22)14-23-8-10-24(11-9-23)17-6-4-15(20)5-7-17/h2-7,12-13H,8-11,14H2,1H3
InChIKeyXCBNBORQXALFCB-UHFFFAOYSA-N
XLogP3.61
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 51178058
[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072979
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22198420
5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 87015676
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 69087337
2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 46807557
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 171704300
4-(4-fluorophenyl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1-carboximidamide
CID 111038418
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methylimidazo[1,2-a]pyridine
CID 19367156
5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole
CID 142647972

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine (CID 139743917) is 1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine is Cn1nc(CN2CCN(c3ccc(F)cc3)CC2)cc1-c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine?
The InChIKey is XCBNBORQXALFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4S/c1-22-18(19-3-2-12-25-19)13-16(21-22)14-23-8-10-24(11-9-23)17-6-4-15(20)5-7-17/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine has a molecular weight of 356.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 139743917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).