4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide

C22H25N5O — CID 108812975

IUPAC4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1
InChIInChI=1S/C22H25N5O/c1-25-20(19-10-6-3-7-11-19)16-21(24-25)23-22(28)27-14-12-26(13-15-27)17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3,(H,23,24,28)
InChIKeyZIXGWAGKKVPLLZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.44
Rot. Bonds4

About 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide

4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 108812975) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID108812975
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1
InChIInChI=1S/C22H25N5O/c1-25-20(19-10-6-3-7-11-19)16-21(24-25)23-22(28)27-14-12-26(13-15-27)17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3,(H,23,24,28)
InChIKeyZIXGWAGKKVPLLZ-UHFFFAOYSA-N
XLogP3.44
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-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

Related Compounds

3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide
CID 108813000
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108813013
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 138041503
N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide
CID 164898192
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide (CID 108812975) is 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide is Cn1nc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1.
What is the InChIKey of 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is ZIXGWAGKKVPLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-25-20(19-10-6-3-7-11-19)16-21(24-25)23-22(28)27-14-12-26(13-15-27)17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3,(H,23,24,28).
What are the key properties of 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide?
4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108812975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).