(3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C18H16F2N4OS — CID 75527394

IUPAC(3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C18H16F2N4OS/c19-13-4-3-12(10-14(13)20)18(25)24-7-5-23(6-8-24)17-11-15(21-22-17)16-2-1-9-26-16/h1-4,9-11H,5-8H2,(H,21,22)
InChIKeyDQNJOZIONUWAOM-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.38
Rot. Bonds3

About (3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 75527394) has the molecular formula C18H16F2N4OS and a molecular weight of 374.42 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID75527394
Molecular FormulaC18H16F2N4OS
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name(3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C18H16F2N4OS/c19-13-4-3-12(10-14(13)20)18(25)24-7-5-23(6-8-24)17-11-15(21-22-17)16-2-1-9-26-16/h1-4,9-11H,5-8H2,(H,21,22)
InChIKeyDQNJOZIONUWAOM-UHFFFAOYSA-N
XLogP3.38
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 75527394) is (3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is DQNJOZIONUWAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4OS/c19-13-4-3-12(10-14(13)20)18(25)24-7-5-23(6-8-24)17-11-15(21-22-17)16-2-1-9-26-16/h1-4,9-11H,5-8H2,(H,21,22).
What are the key properties of (3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 374.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75527394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).