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

C20H19BrF2N4O2 — CID 24816104

IUPACN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCc2cc(F)cc(F)c2)cc1-c1c(Br)cnn1C
InChIInChI=1S/C20H19BrF2N4O2/c1-27-20(17(21)10-25-27)16-8-15(3-4-18(16)29-2)26-19(28)11-24-9-12-5-13(22)7-14(23)6-12/h3-8,10,24H,9,11H2,1-2H3,(H,26,28)
InChIKeyBHXILOJXMPYZNF-UHFFFAOYSA-N
MW465.30 g/mol
LogP3.86
Rot. Bonds7

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

N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide (PubChem CID 24816104) has the molecular formula C20H19BrF2N4O2 and a molecular weight of 465.30 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide
PubChem CID24816104
Molecular FormulaC20H19BrF2N4O2
Molecular Weight465.30 g/mol
Exact Mass464.07
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCc2cc(F)cc(F)c2)cc1-c1c(Br)cnn1C
InChIInChI=1S/C20H19BrF2N4O2/c1-27-20(17(21)10-25-27)16-8-15(3-4-18(16)29-2)26-19(28)11-24-9-12-5-13(22)7-14(23)6-12/h3-8,10,24H,9,11H2,1-2H3,(H,26,28)
InChIKeyBHXILOJXMPYZNF-UHFFFAOYSA-N
XLogP3.86
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.30
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide
CID 24815312
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(3-methylphenyl)urea
CID 137492363
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea
CID 11775306
2-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethylamino]-N-[3-(4-iodo-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
CID 143584503
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chloro-2-hydroxyphenyl)urea
CID 23139514
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-[4-(2-oxoethyl)piperazin-1-yl]ethoxy]phenyl]-3-[(3-fluorophenyl)methyl]urea
CID 91199615
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide
CID 24815832
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-ethoxyphenyl]-3-(2,4-difluorophenyl)urea
CID 91217921
1-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(3-fluorophenyl)methyl]urea
CID 66928116
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide
CID 66928354
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea
CID 143265423
2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
CID 24815737

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide (CID 24816104) is N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide is COc1ccc(NC(=O)CNCc2cc(F)cc(F)c2)cc1-c1c(Br)cnn1C.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide?
The InChIKey is BHXILOJXMPYZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF2N4O2/c1-27-20(17(21)10-25-27)16-8-15(3-4-18(16)29-2)26-19(28)11-24-9-12-5-13(22)7-14(23)6-12/h3-8,10,24H,9,11H2,1-2H3,(H,26,28).
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide?
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide has a molecular weight of 465.30 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide is sourced from PubChem (CID 24816104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).