[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone

C22H29F2N5O — CID 86949275

IUPAC[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
SMILESCN1CCCCC1CN1CCN(C(=O)c2cn(C)nc2-c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H29F2N5O/c1-26-8-4-3-5-17(26)14-28-9-11-29(12-10-28)22(30)19-15-27(2)25-21(19)18-7-6-16(23)13-20(18)24/h6-7,13,15,17H,3-5,8-12,14H2,1-2H3
InChIKeyZUBMLRBCLIRKCB-UHFFFAOYSA-N
MW417.50 g/mol
LogP2.61
Rot. Bonds4

About [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone

[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 86949275) has the molecular formula C22H29F2N5O and a molecular weight of 417.50 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID86949275
Molecular FormulaC22H29F2N5O
Molecular Weight417.50 g/mol
Exact Mass417.23
IUPAC Name[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
SMILESCN1CCCCC1CN1CCN(C(=O)c2cn(C)nc2-c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H29F2N5O/c1-26-8-4-3-5-17(26)14-28-9-11-29(12-10-28)22(30)19-15-27(2)25-21(19)18-7-6-16(23)13-20(18)24/h6-7,13,15,17H,3-5,8-12,14H2,1-2H3
InChIKeyZUBMLRBCLIRKCB-UHFFFAOYSA-N
XLogP2.61
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-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

(5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95312485
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124694982
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methanone
CID 86949207
N-[1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 86948304
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methanone
CID 86949308
2-[4-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 86949117
4-[4-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 86948321
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86949523
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 86948059
3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide
CID 111137730
[3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methanone
CID 86949301
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 86948363

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone (CID 86949275) is [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone is CN1CCCCC1CN1CCN(C(=O)c2cn(C)nc2-c2ccc(F)cc2F)CC1.
What is the InChIKey of [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZUBMLRBCLIRKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N5O/c1-26-8-4-3-5-17(26)14-28-9-11-29(12-10-28)22(30)19-15-27(2)25-21(19)18-7-6-16(23)13-20(18)24/h6-7,13,15,17H,3-5,8-12,14H2,1-2H3.
What are the key properties of [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone?
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 417.50 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86949275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).