N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine

C18H21N5S — CID 155537868

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCN1CCN(c2ccc(Nc3cc(-c4cccs4)[nH]n3)cc2)CC1
InChIInChI=1S/C18H21N5S/c1-22-8-10-23(11-9-22)15-6-4-14(5-7-15)19-18-13-16(20-21-18)17-3-2-12-24-17/h2-7,12-13H,8-11H2,1H3,(H2,19,20,21)
InChIKeyHQSFEKLGTJQIPZ-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.63
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 155537868) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID155537868
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCN1CCN(c2ccc(Nc3cc(-c4cccs4)[nH]n3)cc2)CC1
InChIInChI=1S/C18H21N5S/c1-22-8-10-23(11-9-22)15-6-4-14(5-7-15)19-18-13-16(20-21-18)17-3-2-12-24-17/h2-7,12-13H,8-11H2,1H3,(H2,19,20,21)
InChIKeyHQSFEKLGTJQIPZ-UHFFFAOYSA-N
XLogP3.63
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine 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 N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine (CID 155537868) is N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine is CN1CCN(c2ccc(Nc3cc(-c4cccs4)[nH]n3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is HQSFEKLGTJQIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-22-8-10-23(11-9-22)15-6-4-14(5-7-15)19-18-13-16(20-21-18)17-3-2-12-24-17/h2-7,12-13H,8-11H2,1H3,(H2,19,20,21).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 339.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 155537868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).