1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide

C21H29ClN4O — CID 86870595

IUPAC1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1
InChIInChI=1S/C21H29ClN4O/c1-4-25(5-2)21(27)17-11-13-24(14-12-17)15-19-16(3)23-26(20(19)22)18-9-7-6-8-10-18/h6-10,17H,4-5,11-15H2,1-3H3
InChIKeyCCLXHBAWBZGAOC-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.91
Rot. Bonds6

About 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide

1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide (PubChem CID 86870595) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
PubChem CID86870595
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1
InChIInChI=1S/C21H29ClN4O/c1-4-25(5-2)21(27)17-11-13-24(14-12-17)15-19-16(3)23-26(20(19)22)18-9-7-6-8-10-18/h6-10,17H,4-5,11-15H2,1-3H3
InChIKeyCCLXHBAWBZGAOC-UHFFFAOYSA-N
XLogP3.91
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-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

Related Compounds

N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 131889434
2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 35877991
2-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
CID 55410754
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine
CID 142170476
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 86870561
N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 131908589
1-[1-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 138042178
[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 110909353
1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 19331795
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 51069535

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide (CID 86870595) is 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1.
What is the InChIKey of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is CCLXHBAWBZGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O/c1-4-25(5-2)21(27)17-11-13-24(14-12-17)15-19-16(3)23-26(20(19)22)18-9-7-6-8-10-18/h6-10,17H,4-5,11-15H2,1-3H3.
What are the key properties of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide?
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 388.94 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 86870595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).