N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide

C23H24ClF2N5O2 — CID 24816021

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3F)CC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C23H24ClF2N5O2/c1-29-23(18(24)13-27-29)17-12-16(4-6-21(17)33-2)28-22(32)14-30-7-9-31(10-8-30)20-5-3-15(25)11-19(20)26/h3-6,11-13H,7-10,14H2,1-2H3,(H,28,32)
InChIKeyKTIQBYIMVSHFMU-UHFFFAOYSA-N
MW475.93 g/mol
LogP3.79
Rot. Bonds6

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide (PubChem CID 24816021) has the molecular formula C23H24ClF2N5O2 and a molecular weight of 475.93 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide
PubChem CID24816021
Molecular FormulaC23H24ClF2N5O2
Molecular Weight475.93 g/mol
Exact Mass475.16
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3F)CC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C23H24ClF2N5O2/c1-29-23(18(24)13-27-29)17-12-16(4-6-21(17)33-2)28-22(32)14-30-7-9-31(10-8-30)20-5-3-15(25)11-19(20)26/h3-6,11-13H,7-10,14H2,1-2H3,(H,28,32)
InChIKeyKTIQBYIMVSHFMU-UHFFFAOYSA-N
XLogP3.79
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide (CID 24816021) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3F)CC2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is KTIQBYIMVSHFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N5O2/c1-29-23(18(24)13-27-29)17-12-16(4-6-21(17)33-2)28-22(32)14-30-7-9-31(10-8-30)20-5-3-15(25)11-19(20)26/h3-6,11-13H,7-10,14H2,1-2H3,(H,28,32).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 475.93 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24816021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).