5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

C24H24ClFN4O3 — CID 55893310

IUPAC5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C24H24ClFN4O3/c1-15-22(23(25)30(29-15)19-8-4-17(26)5-9-19)24(32)27-13-12-16-2-10-20(11-3-16)33-14-21(31)28-18-6-7-18/h2-5,8-11,18H,6-7,12-14H2,1H3,(H,27,32)(H,28,31)
InChIKeyMAQYKKBFGXVSSG-UHFFFAOYSA-N
MW470.93 g/mol
LogP3.60
Rot. Bonds9

About 5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 55893310) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
PubChem CID55893310
Molecular FormulaC24H24ClFN4O3
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C24H24ClFN4O3/c1-15-22(23(25)30(29-15)19-8-4-17(26)5-9-19)24(32)27-13-12-16-2-10-20(11-3-16)33-14-21(31)28-18-6-7-18/h2-5,8-11,18H,6-7,12-14H2,1H3,(H,27,32)(H,28,31)
InChIKeyMAQYKKBFGXVSSG-UHFFFAOYSA-N
XLogP3.60
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55385283
[2-oxo-2-(2-phenylethylamino)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7691048
2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55893825
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 60535467
N-cyclopropyl-2-[4-[2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111678654
5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 51187032
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388
5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 41413162
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide
CID 27568317
N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide
CID 26258595
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55893315

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (CID 55893310) is 5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of 5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is MAQYKKBFGXVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c1-15-22(23(25)30(29-15)19-8-4-17(26)5-9-19)24(32)27-13-12-16-2-10-20(11-3-16)33-14-21(31)28-18-6-7-18/h2-5,8-11,18H,6-7,12-14H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 470.93 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55893310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).