1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine

C23H27ClN4 — CID 112840561

IUPAC1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN4/c1-26(2)21-12-14-27(15-13-21)16-19-17-28(22-6-4-3-5-7-22)25-23(19)18-8-10-20(24)11-9-18/h3-11,17,21H,12-16H2,1-2H3
InChIKeyRVGRYIPVURULPF-UHFFFAOYSA-N
MW394.95 g/mol
LogP4.72
Rot. Bonds5

About 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine

1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 112840561) has the molecular formula C23H27ClN4 and a molecular weight of 394.95 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID112840561
Molecular FormulaC23H27ClN4
Molecular Weight394.95 g/mol
Exact Mass394.19
IUPAC Name1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN4/c1-26(2)21-12-14-27(15-13-21)16-19-17-28(22-6-4-3-5-7-22)25-23(19)18-8-10-20(24)11-9-18/h3-11,17,21H,12-16H2,1-2H3
InChIKeyRVGRYIPVURULPF-UHFFFAOYSA-N
XLogP4.72
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine 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

1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
8-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 34226742
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45179657
3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]oxolan-2-one
CID 78836067
3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 120782167
CID 67048003
CID 67048003
(3S)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863282
(3R)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863281
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 25486900
(3S)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 39996038
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine (CID 112840561) is 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is RVGRYIPVURULPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4/c1-26(2)21-12-14-27(15-13-21)16-19-17-28(22-6-4-3-5-7-22)25-23(19)18-8-10-20(24)11-9-18/h3-11,17,21H,12-16H2,1-2H3.
What are the key properties of 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 394.95 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 112840561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).