(3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

C19H20N4OS — CID 166362581

IUPAC(3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C19H20N4OS/c24-19(16-12-21-22-18(16)17-7-4-10-25-17)23-9-8-20-15(13-23)11-14-5-2-1-3-6-14/h1-7,10,12,15,20H,8-9,11,13H2,(H,21,22)
InChIKeyFUOGEPMQNNHISR-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.79
Rot. Bonds4

About (3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

(3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (PubChem CID 166362581) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
PubChem CID166362581
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C19H20N4OS/c24-19(16-12-21-22-18(16)17-7-4-10-25-17)23-9-8-20-15(13-23)11-14-5-2-1-3-6-14/h1-7,10,12,15,20H,8-9,11,13H2,(H,21,22)
InChIKeyFUOGEPMQNNHISR-UHFFFAOYSA-N
XLogP2.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (CID 166362581) is (3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1cccs1)N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of (3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is FUOGEPMQNNHISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-19(16-12-21-22-18(16)17-7-4-10-25-17)23-9-8-20-15(13-23)11-14-5-2-1-3-6-14/h1-7,10,12,15,20H,8-9,11,13H2,(H,21,22).
What are the key properties of (3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
(3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 352.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 166362581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).