4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide

C16H21N5OS — CID 51092834

IUPAC4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C16H21N5OS/c22-16(19-14-12-17-18-13-14)21-8-6-20(7-9-21)10-11-23-15-4-2-1-3-5-15/h1-5,12-13H,6-11H2,(H,17,18)(H,19,22)
InChIKeySSGGHPFEGYBTGE-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.35
Rot. Bonds5

About 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide

4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 51092834) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide
PubChem CID51092834
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C16H21N5OS/c22-16(19-14-12-17-18-13-14)21-8-6-20(7-9-21)10-11-23-15-4-2-1-3-5-15/h1-5,12-13H,6-11H2,(H,17,18)(H,19,22)
InChIKeySSGGHPFEGYBTGE-UHFFFAOYSA-N
XLogP2.35
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide (CID 51092834) is 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide is O=C(Nc1cn[nH]c1)N1CCN(CCSc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is SSGGHPFEGYBTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-16(19-14-12-17-18-13-14)21-8-6-20(7-9-21)10-11-23-15-4-2-1-3-5-15/h1-5,12-13H,6-11H2,(H,17,18)(H,19,22).
What are the key properties of 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide?
4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylsulfanylethyl)-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 51092834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).