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

C25H29ClFN5O2 — CID 24815229

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(CCc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C25H29ClFN5O2/c1-30-25(22(26)16-28-30)21-15-20(7-8-23(21)34-2)29-24(33)17-32-13-11-31(12-14-32)10-9-18-3-5-19(27)6-4-18/h3-8,15-16H,9-14,17H2,1-2H3,(H,29,33)
InChIKeyBHJJBVPSBKYGRW-UHFFFAOYSA-N
MW485.99 g/mol
LogP3.69
Rot. Bonds8

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

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide (PubChem CID 24815229) has the molecular formula C25H29ClFN5O2 and a molecular weight of 485.99 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide
PubChem CID24815229
Molecular FormulaC25H29ClFN5O2
Molecular Weight485.99 g/mol
Exact Mass485.20
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(CCc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C25H29ClFN5O2/c1-30-25(22(26)16-28-30)21-15-20(7-8-23(21)34-2)29-24(33)17-32-13-11-31(12-14-32)10-9-18-3-5-19(27)6-4-18/h3-8,15-16H,9-14,17H2,1-2H3,(H,29,33)
InChIKeyBHJJBVPSBKYGRW-UHFFFAOYSA-N
XLogP3.69
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 53.69
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-fluorophenyl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide (CID 24815229) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(CCc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is BHJJBVPSBKYGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN5O2/c1-30-25(22(26)16-28-30)21-15-20(7-8-23(21)34-2)29-24(33)17-32-13-11-31(12-14-32)10-9-18-3-5-19(27)6-4-18/h3-8,15-16H,9-14,17H2,1-2H3,(H,29,33).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 485.99 g/mol, XLogP of 3.69, 8 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-fluorophenyl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24815229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).