N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide

C21H23N5O — CID 134029541

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3)cc2)CC1
InChIInChI=1S/C21H23N5O/c1-24-11-13-25(14-12-24)19-9-7-18(8-10-19)23-21(27)17-15-22-26(16-17)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3,(H,23,27)
InChIKeyMWFIZYWSXOPNLZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.88
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 134029541) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID134029541
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3)cc2)CC1
InChIInChI=1S/C21H23N5O/c1-24-11-13-25(14-12-24)19-9-7-18(8-10-19)23-21(27)17-15-22-26(16-17)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3,(H,23,27)
InChIKeyMWFIZYWSXOPNLZ-UHFFFAOYSA-N
XLogP2.88
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
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]-1-phenylpyrazole-4-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 N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide (CID 134029541) is N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide is CN1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is MWFIZYWSXOPNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-24-11-13-25(14-12-24)19-9-7-18(8-10-19)23-21(27)17-15-22-26(16-17)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3,(H,23,27).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 134029541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).