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

C24H27ClFN5O2 — CID 24815739

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C24H27ClFN5O2/c1-29-24(21(25)14-27-29)20-13-19(7-8-22(20)33-2)28-23(32)16-31-11-9-30(10-12-31)15-17-3-5-18(26)6-4-17/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,28,32)
InChIKeyKRDCERFYPFXMEH-UHFFFAOYSA-N
MW471.96 g/mol
LogP3.64
Rot. Bonds7

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

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 24815739) has the molecular formula C24H27ClFN5O2 and a molecular weight of 471.96 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID24815739
Molecular FormulaC24H27ClFN5O2
Molecular Weight471.96 g/mol
Exact Mass471.18
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C24H27ClFN5O2/c1-29-24(21(25)14-27-29)20-13-19(7-8-22(20)33-2)28-23(32)16-31-11-9-30(10-12-31)15-17-3-5-18(26)6-4-17/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,28,32)
InChIKeyKRDCERFYPFXMEH-UHFFFAOYSA-N
XLogP3.64
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.96
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 24815739) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is KRDCERFYPFXMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5O2/c1-29-24(21(25)14-27-29)20-13-19(7-8-22(20)33-2)28-23(32)16-31-11-9-30(10-12-31)15-17-3-5-18(26)6-4-17/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,28,32).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 471.96 g/mol, XLogP of 3.64, 7 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-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24815739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).