N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide

C22H23F2N5O — CID 166210339

IUPACN-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2N2CCN(C)CC2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C22H23F2N5O/c1-15-13-21(26-29(15)20-8-7-16(23)14-18(20)24)25-22(30)17-5-3-4-6-19(17)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,30)
InChIKeyRWMOKOURMLVFOY-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.46
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide

N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide (PubChem CID 166210339) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide
PubChem CID166210339
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2N2CCN(C)CC2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C22H23F2N5O/c1-15-13-21(26-29(15)20-8-7-16(23)14-18(20)24)25-22(30)17-5-3-4-6-19(17)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,30)
InChIKeyRWMOKOURMLVFOY-UHFFFAOYSA-N
XLogP3.46
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 42880596
2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16563640
2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
CID 46107138
[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75387303
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
3-[[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122093689
1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 75470170
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,4-difluorobenzamide
CID 122357088
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 26900822
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide
CID 135316097

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide (CID 166210339) is N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide is Cc1cc(NC(=O)c2ccccc2N2CCN(C)CC2)nn1-c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is RWMOKOURMLVFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c1-15-13-21(26-29(15)20-8-7-16(23)14-18(20)24)25-22(30)17-5-3-4-6-19(17)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,30).
What are the key properties of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide?
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 411.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 166210339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).