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

C19H21FN4S — CID 56899892

IUPAC1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine
SMILESFc1cccc(CN2CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)c1
InChIInChI=1S/C19H21FN4S/c20-16-3-1-2-15(12-16)13-23-8-10-24(11-9-23)14-17-4-5-19(25-17)18-6-7-21-22-18/h1-7,12H,8-11,13-14H2,(H,21,22)
InChIKeyMITSPLRKONAKCZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.60
Rot. Bonds5

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

1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine (PubChem CID 56899892) has the molecular formula C19H21FN4S and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine
PubChem CID56899892
Molecular FormulaC19H21FN4S
Molecular Weight356.47 g/mol
Exact Mass356.15
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine
SMILESFc1cccc(CN2CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)c1
InChIInChI=1S/C19H21FN4S/c20-16-3-1-2-15(12-16)13-23-8-10-24(11-9-23)14-17-4-5-19(25-17)18-6-7-21-22-18/h1-7,12H,8-11,13-14H2,(H,21,22)
InChIKeyMITSPLRKONAKCZ-UHFFFAOYSA-N
XLogP3.60
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine (CID 56899892) is 1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine is Fc1cccc(CN2CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine?
The InChIKey is MITSPLRKONAKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4S/c20-16-3-1-2-15(12-16)13-23-8-10-24(11-9-23)14-17-4-5-19(25-17)18-6-7-21-22-18/h1-7,12H,8-11,13-14H2,(H,21,22).
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine?
1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine has a molecular weight of 356.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 56899892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).