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

C23H21N5OS — CID 2999538

IUPAC(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H21N5OS/c29-23(27-14-12-26(13-15-27)21-10-4-5-11-24-21)19-17-28(18-7-2-1-3-8-18)25-22(19)20-9-6-16-30-20/h1-11,16-17H,12-15H2
InChIKeyYNOUQZZWJSYAOA-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.96
Rot. Bonds4

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

(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 2999538) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID2999538
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H21N5OS/c29-23(27-14-12-26(13-15-27)21-10-4-5-11-24-21)19-17-28(18-7-2-1-3-8-18)25-22(19)20-9-6-16-30-20/h1-11,16-17H,12-15H2
InChIKeyYNOUQZZWJSYAOA-UHFFFAOYSA-N
XLogP3.96
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 2999538) is (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is YNOUQZZWJSYAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c29-23(27-14-12-26(13-15-27)21-10-4-5-11-24-21)19-17-28(18-7-2-1-3-8-18)25-22(19)20-9-6-16-30-20/h1-11,16-17H,12-15H2.
What are the key properties of (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 415.52 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2999538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).