5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide

C24H26ClFN4O4 — CID 55781267

IUPAC5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1OC
InChIInChI=1S/C24H26ClFN4O4/c1-4-27-21(31)14-34-19-10-7-17(11-20(19)33-3)12-28-24(32)22-15(2)29-30(23(22)25)13-16-5-8-18(26)9-6-16/h5-11H,4,12-14H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyQNYGKJUNYBTQAK-UHFFFAOYSA-N
MW488.95 g/mol
LogP3.49
Rot. Bonds10

About 5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide

5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 55781267) has the molecular formula C24H26ClFN4O4 and a molecular weight of 488.95 g/mol. Its IUPAC name is 5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
PubChem CID55781267
Molecular FormulaC24H26ClFN4O4
Molecular Weight488.95 g/mol
Exact Mass488.16
IUPAC Name5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1OC
InChIInChI=1S/C24H26ClFN4O4/c1-4-27-21(31)14-34-19-10-7-17(11-20(19)33-3)12-28-24(32)22-15(2)29-30(23(22)25)13-16-5-8-18(26)9-6-16/h5-11H,4,12-14H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyQNYGKJUNYBTQAK-UHFFFAOYSA-N
XLogP3.49
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26445004
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 55745887
5-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46690991
4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 55745941
5-chloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 78878424
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 51309815
5-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46451354
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
CID 4802418
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
5-chloro-1-[(4-fluorophenyl)methyl]-N-hexyl-3-methylpyrazole-4-carboxamide
CID 32647072
5-chloro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 46551079
ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55746045

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide (CID 55781267) is 5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide is CCNC(=O)COc1ccc(CNC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1OC.
What is the InChIKey of 5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is QNYGKJUNYBTQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O4/c1-4-27-21(31)14-34-19-10-7-17(11-20(19)33-3)12-28-24(32)22-15(2)29-30(23(22)25)13-16-5-8-18(26)9-6-16/h5-11H,4,12-14H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 488.95 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55781267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).