[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone

C22H23ClN4O — CID 119561078

IUPAC[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1
InChIInChI=1S/C22H23ClN4O/c1-24-18-11-13-26(14-12-18)22(28)21-15-20(16-7-9-17(23)10-8-16)25-27(21)19-5-3-2-4-6-19/h2-10,15,18,24H,11-14H2,1H3
InChIKeyRDJQRARVSBWYQW-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.02
Rot. Bonds4

About [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone

[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119561078) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119561078
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1
InChIInChI=1S/C22H23ClN4O/c1-24-18-11-13-26(14-12-18)22(28)21-15-20(16-7-9-17(23)10-8-16)25-27(21)19-5-3-2-4-6-19/h2-10,15,18,24H,11-14H2,1H3
InChIKeyRDJQRARVSBWYQW-UHFFFAOYSA-N
XLogP4.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone 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-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide
CID 60589023
(1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154919465
[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3903246
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46534378
ethyl 1-[1-(4-chlorophenyl)-3-phenylpyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42754580
ethyl 1-[3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5145752
1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 4242006
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone (CID 119561078) is [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is RDJQRARVSBWYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-24-18-11-13-26(14-12-18)22(28)21-15-20(16-7-9-17(23)10-8-16)25-27(21)19-5-3-2-4-6-19/h2-10,15,18,24H,11-14H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone?
[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 394.91 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119561078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).