(4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

C24H22N4OS — CID 2312348

IUPAC(4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H22N4OS/c29-24(27-15-13-26(14-16-27)19-8-3-1-4-9-19)21-18-28(20-10-5-2-6-11-20)25-23(21)22-12-7-17-30-22/h1-12,17-18H,13-16H2
InChIKeyLGUKCQFNXGAKBM-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.56
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

(4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (PubChem CID 2312348) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
PubChem CID2312348
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC Name(4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H22N4OS/c29-24(27-15-13-26(14-16-27)19-8-3-1-4-9-19)21-18-28(20-10-5-2-6-11-20)25-23(21)22-12-7-17-30-22/h1-12,17-18H,13-16H2
InChIKeyLGUKCQFNXGAKBM-UHFFFAOYSA-N
XLogP4.56
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (CID 2312348) is (4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The InChIKey is LGUKCQFNXGAKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c29-24(27-15-13-26(14-16-27)19-8-3-1-4-9-19)21-18-28(20-10-5-2-6-11-20)25-23(21)22-12-7-17-30-22/h1-12,17-18H,13-16H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
(4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone has a molecular weight of 414.53 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 2312348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).